376608-66-1

Basic information

• Product Name: 2-Propenoyl chloride, 3-(3,4-difluorophenyl)-, (2E)-
• Synonyms: (E)-3-(3,4-difluorophenyl)acryloyl chloride;(E)-3-(3,4-difluorophenyl)-2-propenoyl chloride;3,4-difluorocinnamoyl chloride;2-Propenoyl chloride,3-(3,4-difluorophenyl)-,(2E)
• CAS NO: 376608-66-1
• Molecular Formula: C9H5ClF2O
• Molecular Weight: 202.588
• Mol File: 376608-66-1.mol
• Article Data: 12

Chemical Properties

• CAS DataBase Reference: 2-Propenoyl chloride, 3-(3,4-difluorophenyl)-, (2E)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Propenoyl chloride, 3-(3,4-difluorophenyl)-, (2E)-(376608-66-1)
• EPA Substance Registry System: 2-Propenoyl chloride, 3-(3,4-difluorophenyl)-, (2E)-(376608-66-1)

Safety Data

• Hazardous Substances Data: 376608-66-1(Hazardous Substances Data)

Upstream product

• 34036-07-2 3,4 difluorobenzaldehyde 
• 112897-97-9 (E)-3-(3,4-difluorophenyl)acrylic acid 

Downstream Products

• 1352050-87-3 (E)-3-(3,4-difluorophenyl)-1-4-[(E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]piperazino-2-propen-1-one 
• 1352051-03-6 (E)-3-(3,4-difluorophenyl)-1-(4-((E)-3-[4-(trifluoromethyl)phenyl]-2-propenoyl)piperazino)-2-propen-1-one 
• 1352050-95-3 (E)-3-(3,4-difluorophenyl)-1-4-[(E)-3-phenyl-2-propenoyl]piperazino-2-propen-1-one 
• 376608-67-2 (E)-(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 3-(3,4-difluorophenyl)acrylate 
• 376608-68-3 (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl trans-(1R,2R)-2-(3,4-difluorophenyl)cyclopropanecarboxylate 
• 1450916-28-5 (1R,2R)-2-(3,4-difluorophenyl)cyclopropane carbonitrile 

Relevant articles and documents

Design, synthesis and evaluation of semi-synthetic triazole-containing caffeic acid analogues as 5-lipoxygenase inhibitors

In this work the synthesis, structure-activity relationship (SAR) and biological evaluation of a novel series of triazole-containing 5-lipoxygenase (5-LO) inhibitors are described. The use of structure-guided drug design techniques provided compounds that

Environment-friendly preparation method of ticagrelor intermediate

The invention discloses an environment-friendly preparation method of a ticagrelor intermediate. According to the method, (E)-3-(3,4-difluorophenyl)menthyl acrylate with chiral menthol groups is obtained by subjecting 3,4-difluorobenzaldehyde used as a ra

Discovery and validation of 2-styryl substituted benzoxazin-4-ones as a novel scaffold for rhomboid protease inhibitors

Rhomboids are intramembrane serine proteases with diverse physiological functions in organisms ranging from archaea to humans. Crystal structure analysis has provided a detailed understanding of the catalytic mechanism, and rhomboids have been implicated in various disease contexts. Unfortunately, the design of specific rhomboid inhibitors has lagged behind, and previously described small molecule inhibitors displayed insufficient potency and/or selectivity. Using a computer-aided approach, we focused on the discovery of novel scaffolds with reduced liabilities and the possibility for broad structural variations. Docking studies with the E. coli rhomboid GlpG indicated that 2-styryl substituted benzoxazinones might comprise novel rhomboid inhibitors. Protease in vitro assays confirmed activity of 2-styryl substituted benzoxazinones against GlpG but not against the soluble serine protease α-chymotrypsin. Furthermore, mass spectrometry analysis demonstrated covalent modification of the catalytic residue Ser201, corroborating the predicted mechanism of inhibition and the formation of an acyl enzyme intermediate. In conclusion, 2-styryl substituted benzoxazinones are a novel rhomboid inhibitor scaffold with ample opportunity for optimization.