42768-46-7

Basic information

• Product Name: 2-Bromohexanoylchloride
• Synonyms: 2-Bromohexanoylchloride;2-Bromo hexyanoyl chloride
• CAS NO: 42768-46-7
• Molecular Formula: C₆H₁₀BrClO
• Molecular Weight: 213.5
• Mol File: 42768-46-7.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 102-105 °C(Press: 30 Torr)
• Appearance: /
• Density: 1.426±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 2-Bromohexanoylchloride(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Bromohexanoylchloride(42768-46-7)
• EPA Substance Registry System: 2-Bromohexanoylchloride(42768-46-7)

Safety Data

• Hazardous Substances Data: 42768-46-7(Hazardous Substances Data)

Upstream product

• 616-05-7 2-bromohexanoic acid 
• 111-64-8 n-octanoic acid chloride 
• 142-62-1 hexanoic acid 
• 142-61-0 Hexanoyl chloride 

Downstream Products

• 5445-19-2 methyl 2-bromohexanoate 
• 616-05-7 2-bromohexanoic acid 
• 95876-37-2 2-(2-bromo-hexanoylamino)-phenol 
• 53301-21-6 (2-Benzyl-3-butyl-1,4-dioxo-octahydro-pyrrolo[1,2-a]pyrazin-6-yl)-acetic acid ethyl ester 
• 53301-22-7 [3-Butyl-2-(3,4-dimethyl-benzyl)-1,4-dioxo-octahydro-pyrrolo[1,2-a]pyrazin-6-yl]-acetic acid ethyl ester 
• 53300-84-8 2-benzyl-3-butyl-1,4-dioxo-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid 
• 53300-94-0 (2-benzyl-3-butyl-1,4-dioxo-octahydro-pyrrolo[1,2-a]pyrazin-6-yl)-acetic acid 
• 53300-85-9 3-butyl-2-(3,4-dimethyl-benzyl)-1,4-dioxo-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid 
• 53477-99-9 3-butyl-2-(4-chloro-benzyl)-1,4-dioxo-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid 
• 53300-71-3 2-benzyl-3-butyl-1,4-dioxo-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid ethyl ester 
• 53300-70-2 3-butyl-2-(4-methyl-benzyl)-1,4-dioxo-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid ethyl ester 
• 53300-69-9 estere etilico dell'acido 2-butil-2-(3,4-dimetilbenzil)ottaidro-1,4-diossopirrolo<1,2-a>pirazin-6-carbossilico 

Relevant articles and documents

Influence of palladium(II) complexes on the cycloaddition of α-bromoalkyl ketenes to cyclopentadiene

Palladium(II) complexes, of the type PdL2X2 and PdX2, influence both the yields and endo/exo ratio in formation of several 7-bromo-7-alkylbicyclo[3.2.0]hept-2-en-6-ones. Standard dehydrochlorination of α-bromoacyl chloride

Copper-Catalyzed Enantioselective Sonogashira Type Coupling of Alkynes with α-Bromoamides

An asymmetric copper-catalyzed Sonogashira type coupling between alkynes and α-bromoamides has been developed. This method represents a facile approach to synthetically useful β, γ-alkynyl amides from two readily available starting materials in a highly enantioselective manner. A Bisoxazoline diphenylanaline (BOPA) serves as the effective chiral ligand. Preliminary mechanistic studies support the formation of alkyl radical species.

Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer

The bromodomain and extra-terminal proteins (BET) have emerged as promising therapeutic targets for the treatment of castration-resistant prostate cancer (CRPC). We report the design, synthesis and evaluation of a new series of benzoxazinone-containing 3,5-dimethylisoxazole derivatives as selective BET inhibitors. One of the new compounds, (R)-12 (Y02234), binds to BRD4(1) with a Kd value of 110 nM and blocks bromodomain and acetyl lysine interactions with an IC50 value of 100 nM. It also exhibits selectivity for BET over non-BET bromodomain proteins and demonstrates reasonable anti-proliferation and colony formation inhibition effect in prostate cancer cell lines such as 22Rv1 and C4-2B. The BRD4 inhibitor (R)-12 also significantly suppresses the expression of ERG, Myc and AR target gene PSA at the mRNA level in prostate cancer cells. Treatment with (R)-12 significantly suppresses the tumor growth of prostate cancer (TGI = 70%) in a 22Rv1-derived xenograft model. These data suggest that compound (R)-12 is a promising lead compound for the development of a new class of therapeutics for the treatment of CRPC.