Category: bromides-buliding-blocks

Cheng, Xinyi published the artcileOrganozinc pivalates for cobalt-catalyzed difluoroalkylarylation of alkenes, COA of Formula: C4H6BrFO2, the publication is Nature Communications (2021), 12(1), 4366, database is CAplus and MEDLINE.

A cobalt-catalyzed regioselective difluoroalkylarylation of both activated and unactivated alkenes with solid arylzinc pivalates and difluoroalkyl bromides through a cascade Csp₃-Csp₃/Csp₃-Csp₂ bond formation under mild reaction conditions. Indeed, a wide range of functional groups on difluoroalkyl bromides, olefins, 1,3-dienes as well as (hetero)arylzinc pivalates are well tolerated by the cobalt-catalyst, thus furnished three-component coupling products in good yields and with high regio- and diastereoselectivity. Kinetic experiments compared arylzinc pivalates and conventional arylzinc halides highlighted the unique reactivity of these organozinc pivalates. Mechanistic studies strongly supported that the reaction involved direct halogen atom abstraction via single electron transfer to difluoroalkyl bromides from the in-situ formed cobalt(I) species, thus realized a Co(I)/Co(II)/Co(III) catalytic cycle.

Nature Communications published new progress about 401-55-8. 401-55-8 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Aliphatic hydrocarbon chain,Ester, name is Ethylbromofluoroacetate, and the molecular formula is C4H6BrFO2, COA of Formula: C4H6BrFO2.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Song, Zhidan published the artcileSynthesis and aromatase inhibitory evaluation of 4-N-nitrophenyl substituted amino-4H-1,2,4-triazole derivatives, Related Products of bromides-buliding-blocks, the publication is Bioorganic & Medicinal Chemistry (2016), 24(19), 4723-4730, database is CAplus and MEDLINE.

In this paper, 13 4-N-nitrophenyl substituted amino-4H-1,2,4-triazole derivatives were synthesized and their aromatase inhibitory activities were measured. The results show that the substitution of the groups on benzyl group can further improve their bioactivity and the compound (I) with Cl on the para position of benzyl has the highest bioactivity (IC₅₀ = 9.02 nM). A QSAR model was constructed from the 13 compounds with genetic function approximation using DS 2.1 package. This model can explain 90.09% of the variance (R²_Adj), while it can predict 84.95% of the variance (R²_cv) with the confidence interval of 95%.

Bioorganic & Medicinal Chemistry published new progress about 1997-80-4. 1997-80-4 belongs to bromides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Bromide,Benzene, name is 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene, and the molecular formula is C15H18BF3O4, Related Products of bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Xu, Zi-Yang published the artcilePhotocatalytic Chemodivergent Synthesis of α-gem-Dihalovinyl Ketones and Chromen-2-Ones from Monoalkynes, Formula: C7H11Br, the publication is Advanced Synthesis & Catalysis (2022), 364(15), 2666-2672, database is CAplus.

A general photocatalytic substrate-controlled chemodivergent strategy starting from monoalkynes with polyhalomethanes such as BrCCl₃ and CBr₄ was developed, enabling Kharasch-type addition/nucleophilic substitution cascade to selectively produce α-gem-dihalovinyl ketones and chromen-2-ones with moderate to good yields. Use of monoalkynes without addnl. nucleophilic sites furnished α-gem-dihalovinyl ketones through a Kharasch-type addition and intermol. allylic substitution cascade whereas the latter transformation of 2-ethynylphenols allowed the full breaking of carbon-halogen bonds of BrCX₃ to access functionalized chromen-2-ones. The late-stage application of these resulting α-gem-dihalovinyl ketones demonstrates the versatility of their derivatization.

Advanced Synthesis & Catalysis published new progress about 81216-14-0. 81216-14-0 belongs to bromides-buliding-blocks, auxiliary class Linker,PROTAC Linker, name is 7-Bromohept-1-yne, and the molecular formula is C8H8O3, Formula: C7H11Br.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Kharasch, M. S. published the artcileVapor-phase photochemical bromination of 2,3-dimethylbutane and 2,2,4,4-tetramethylpentane, Category: bromides-buliding-blocks, the publication is Journal of Organic Chemistry (1955), 680-8, database is CAplus.

cf. C.A. 50, 173e. The vapor-phase, photochem. bromination of 700 g. (CHMe₂)₂ (I) with 360 g. Br is carried out in the apparatus described earlier (cf. Zimmt, Dissertation, Univ. of Chicago, 1951). After 10 h. the bromination products are stripped of HBr with N and the residue is fractionally distilled, giving 35% 2-bromo-2,3-dimethylbutane, b_27.5 41-1.5°, n_D²⁰ 1.4541. Cooling the distillation residue gives 4% (CBrMe₂)₂, subliming 170-5° without melting. High-vacuum distillation of the high-boiling residue gives 3 fractions: (a) 46 g., b_0.2 44-6°; (b) 5.4 g., b_0.2 67-70°; (c) 10.1 g., b_0.4 96-100°. Redistillation of a gives 25% of a mixture of cis- and trans-(:CMeCH₂Br)₂, b_0.1 40°, needles, m. 57-7.5°; b is a mixture of tri- and tetrabromides and is not investigated further; recrystallization of c gives 5% tetrabromide, needles, m. 149-52°, of unknown structure. Treating 2 g. of a in 25 cc. CCl₄ with 1.5 g. Br 40 min. at 20° with moderate illumination gives 1.8 g. (CBrMeCH₂Br)₂, faintly yellow needles, m. 137-8°. Because little or no bromination of 2,2,4,4-tetramethylpentane (II) occurs in the vapor phase photochem. bromination at 100° and because of the limited amount of II available a special apparatus, similar to that for I, is used. The bromination of 27 g. II with 14 g. Br is carried out over a period of 7.5 h. at 200°. The reaction product is freed of Br and HBr with N and fractionally distilled in vacuo giving 3 fractions: (d) 0.7 g., b₅ 51°, n_D²⁰ 1.4690; (e) 1.1 g., b₅ 51-2°, n_D²⁰ 1.4695; (f) 11.2 g., b₅ 52°, n_D²⁰ 1.4719; and 0.6 g. residue, apparently a dibromide. The total yield of d-f is 72.2% and is shown to be 2-bromo-2,3,4,4-tetramethylpentane (III). Treating f 0.5 h. with AgNO₃ gives 92.5% AgBr. Shaking 2.1 g. f with 2 g. AgOAc in 30 cc. AcOH and 0.3 cc. Ac₂O 1 h. and distilling off the solvent in vacuo leave 0.5 g. residue which gives a pos. hydroxamic acid test for esters. Neutralizing the distillate with Na₂CO₃, extracting with Et₂O, and evaporating the extract leave 0.6 g. unsaturated material which, on ozonization, gives HCHO. Shaking 2.07 g. f in 45 cc. anhydrous Et₂O with 7.3 g. 3,4-(O₂N)₂C₆H₃CO₂Ag 36 h. gives 2,3,4,4-tetramethylpent-1-ene, b₇₅₄ 125-6°, n_D²⁰ 1.4261, which (0.1 g.), ozonized in 100 cc. EtOAc 2.5 min. at -40°, gives 3,4,4-trimethylpentan-2-one identified via its 2,4-dinitrophenylhydrazone, orange needles, m. 109-10°. III is formed by rearrangement of a Me group. Mechanisms which account for the formation of mono- and dibromides with free radicals as intermediates are proposed.

Journal of Organic Chemistry published new progress about 594-81-0. 594-81-0 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 2,3-Dibromo-2,3-dimethylbutane, and the molecular formula is C6H12Br2, Category: bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

McNamara, Louis E. published the artcileDonor-Acceptor-Donor Thienopyrazines via Pd-Catalyzed C-H Activation as NIR Fluorescent Materials, COA of Formula: C4Br2N2O4S, the publication is Journal of Organic Chemistry (2016), 81(1), 32-42, database is CAplus and MEDLINE.

A series of thienopyrazine-based donor-acceptor-donor (D-A-D) near-IR (NIR) fluorescent compounds II were synthesized from I through a rapid, palladium-catalyzed C-H activation route. The dyes were studied through computational anal., electrochem. properties anal., and characterization of their photophys. properties. Large Stokes shifts of approx. 175 nm were observed, which led to near-IR emission. Computational evaluation shows that the origin of this large Stokes shift is a significant mol. reorganization particularly about the D-A bond. The series exhibits quantum yields of up to φ = >4%, with emission maxima ranging from 725 to 820 nm. The emission is strong in solution, in thin films, and also in isolation at the single-mol. level. Their stable emission at the single-mol. level makes these compounds good candidates for single-mol. photon sources in the near-IR.

Journal of Organic Chemistry published new progress about 52431-30-8. 52431-30-8 belongs to bromides-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 2,5-Dibromo-3,4-dinitrothiophene, and the molecular formula is C4Br2N2O4S, COA of Formula: C4Br2N2O4S.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Jung, In Hwan published the artcileSynthesis and Search for Design Principles of New Electron Accepting Polymers for All-Polymer Solar Cells, SDS of cas: 52431-30-8, the publication is Chemistry of Materials (2014), 26(11), 3450-3459, database is CAplus.

New electron withdrawing monomers, thieno[2′,3′:5′,6′]pyrido[3,4-g]thieno[3,2-c]isoquinoline-5,11(4H,10H)-dione (TPTI) and fluorenedicyclopentathiophene dimalononitrile (CN), have been developed and used to form 12 alternating polymers having different monomer combinations: (a) weak donating monomer-strong accepting monomer, (b) weak accepting monomer-strong accepting monomer, (c) weak accepting monomer-weak accepting monomer, and (d) strong donating monomer-strong accepting monomer. It was found that LUMO energy levels of polymers are significantly determined by stronger electron accepting monomers and HOMO energy levels by the weak electron accepting monomers. In addition, fluorescent quantum yields of the TPTI-based polymers in chloroform solution are significantly decreased as the LUMO energy levels of the TPTI series of polymers become deeper. The quantum yield was found to be closely related with the photovoltaic properties, which reflects the effect of internal polarization on the photovoltaic properties. Only the electron accepting polymers showing SCLC mobility higher than 10^-4 Cm²/(V s) exhibited photovoltaic performance in blend films with a donor polymer, and the PTB7:PNPDI (1:1.8 weight/weight) device exhibited the highest power conversion efficiency of 1.03% (V_oc = 0.69 V, J_sc = -4.13 mA/Cm², FF = 0.36) under AM 1.5G condition, 100 W/Cm². We provide a large set of systematic structure-property relationships, which gives new perspectives for the design of electron accepting materials.

Chemistry of Materials published new progress about 52431-30-8. 52431-30-8 belongs to bromides-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 2,5-Dibromo-3,4-dinitrothiophene, and the molecular formula is C4Br2N2O4S, SDS of cas: 52431-30-8.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Bladon, P. published the artcileLattice defects in plastic organic solids. 9. Nuclear magnetic resonance studies of translational molecular motion in solids of intermediate entropies of fusion, Application of 2,3-Dibromo-2,3-dimethylbutane, the publication is Molecular Crystals and Liquid Crystals (1973), 19(3-4), 315-26, database is CAplus.

Studies were made of the effects of temperature and sample purity on the continuous wave, NMR line narrowing behavior at high temperatures for the following rotator phase organic solids of intermediate entropies of fusion: perfluorocyclohexane, triethylenediamine, 2-bromo-2,3,3-trimethylbutane, 2-chloro-2,3,3-trimethylbutane, 2,3-dibromo-2,3-dimethylbutane and tetra(fluoromethyl)methane. The evaluated correlation times and activation energies for the solids of high entropy of fusion are equivalent to those for self-diffusion as measured by the radiotracer (or plastic deformation) technique. Proceeding to lower entropies of fusion there is a gradually increasing divergence between the 2 sets of data. It is proposed that this variation is a consequence of the way in which the different techniques reflect translational motion in systems with increasing defect disorder.

Molecular Crystals and Liquid Crystals published new progress about 594-81-0. 594-81-0 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 2,3-Dibromo-2,3-dimethylbutane, and the molecular formula is C6H12Br2, Application of 2,3-Dibromo-2,3-dimethylbutane.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Liu, Zhuo published the artcilePh₃P⁺CF₂CO^–₂ as an F^– and :CF₂ source for trifluoromethylthiolation of alkyl halides, COA of Formula: C8H6BrF3S, the publication is Chinese Chemical Letters (2019), 30(3), 714-716, database is CAplus.

Trifluoromethylthiolation of alkyl halides RX (R = naphthalen-1-ylethyl, 5-chlorobenzothiophen-3-yl, phenylpropyl, etc.; X = Br, Cl) by using Ph₃P⁺CF₂CO^–₂ as a fluoride and difluorocarbene source has been described. Difluorocarbene is a versatile intermediate, but its side reactions are usually ignored and byproducts would therefore be discarded. In this work, side reaction of difluorocarbene and generation of a fluoride anion from the difluorocarbene were developed into a synthetic tool. Although the trifluoromethylthiolation reaction involved multi-sequential steps, the cleavage of C-F bond and the formation of CF₂=S bond, F-C(S)F₂ bond, and C-SCF₃ bond were proceeded fast and completed within 10 min.

Chinese Chemical Letters published new progress about 21101-63-3. 21101-63-3 belongs to bromides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Bromide,sulfides,Benzyl bromide,Benzene, name is (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane, and the molecular formula is C8H6BrF3S, COA of Formula: C8H6BrF3S.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Behnke, Nicole Erin published the artcileTitanium-Mediated Synthesis of Spirocyclic NH-Azetidines from Oxime Ethers, Related Products of bromides-buliding-blocks, the publication is Angewandte Chemie, International Edition (2019), 58(40), 14219-14223, database is CAplus and MEDLINE.

The Ti^IV-mediated synthesis of spirocyclic NH-azetidines from oxime ethers using either an alkyl Grignard reagent or terminal olefin ligand exchange coupling partner is described. Through a proposed Kulinkovich-type mechanism, a titanacyclopropane intermediate forms and serves as a 1,2-aliphatic dianion equivalent, inserting into the 1,2-dielectrophilic oxime ether to ultimately give rise to the desired N-heterocyclic four-membered ring. This transformation proceeds in moderate yield to furnish previously unreported and structurally diverse NH-azetidines in a single step. Thus, e.g., cyclohexanone O-methyloxime + phenethylmagnesium bromide → I (51%) in presence of Ti(Oi-Pr)₄ in Et₂O.

Angewandte Chemie, International Edition published new progress about 1997-80-4. 1997-80-4 belongs to bromides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Bromide,Benzene, name is 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene, and the molecular formula is C9H8BrF3, Related Products of bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

He, Guohang published the artcileFacile synthesis of poly(BODIPY)s via solid state polymerization and application in temperature sensor, Name: 1-Bromooctane, the publication is Polymer (2022), 124514, database is CAplus.

Several 3,5-dibromo substituted BODIPY (4,4′-Difluoro-4-bora-3a,4a-diaza-s-indacene) derivatives were rationally designed and investigated as potential candidates to perform solid state polymerization (SSP). Compared with the traditional systems of thiophene and diacetylene families, which were successfully applied in SSP, SSP has been expanded to the BODIPY system in this article. In addition, crystallog. data of BODIPY derivative was derived to analyze the reasonable path of SSP, which could further explore the mechanism of SSP. Furthermore, the relationship between fluorescence intensity of BODIPY after SSP and temperature was established, which could apply this material in temperature fluorescence sensor with outstanding relative sensitivity (S_r) of 0.898% K^-1. Our work has been proved to pave the way to explore more conjugated systems by using SSP method and enrich SSP database systematically.

Polymer published new progress about 111-83-1. 111-83-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromooctane, and the molecular formula is C8H17Br, Name: 1-Bromooctane.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary