40478-50-0

Basic information

• Product Name: Benzenepropanoyl chloride, 3-chloro-
• Synonyms: Benzenepropanoyl chloride, 3-chloro-
• CAS NO: 40478-50-0
• Molecular Formula: C₉H₈Cl₂O
• Molecular Weight: 203.06522
• Mol File: 40478-50-0.mol
• Article Data: 11

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzenepropanoyl chloride, 3-chloro-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenepropanoyl chloride, 3-chloro-(40478-50-0)
• EPA Substance Registry System: Benzenepropanoyl chloride, 3-chloro-(40478-50-0)

Safety Data

• Hazardous Substances Data: 40478-50-0(Hazardous Substances Data)

Upstream product

• 7116-35-0 ethyl 3-(3-chlorophenyl)propanoate 
• 620-20-2 1-Chloro-3-chloromethyl-benzene 
• 21640-48-2 3-chlorohydrocinnamic acid 

Downstream Products

• 42348-86-7 5-chloro-1-indanone 
• 1216193-24-6 3-(3-chlorophenethyl)-1H-isochromen-1-one 
• 103275-33-8 [3-(3-chloro-phenyl)-propyl]-methyl-amine 
• 23580-89-4 methyl-(3-phenyl-propyl)-amine 
• 491-34-9 N-methyl-1,2,3,4-tetrahydroquinoline 
• 142260-18-2 7-<5-<3-(3-chlorophenyl)propyl>-2-thienyl>heptanoic acid 

Relevant articles and documents

Synthesis of 1,3,4-oxadiazoles as selective T-type calcium channel inhibitors

– Neuropathic pain, epilepsy, insomnia, and tremor disorder may arrive from an increase of intracellular Ca2+ concentration through a dysfunction of T-type Ca2+ channels. Thus, T-type calcium channels could be a target in drug discovery for the treatments of neuropathic pain and epilepsy. From rational drug design approach, a group of 2,5-disubstituted 1,3,4-oxadiazole molecules was synthesized and their selective T-type channel inhibitions were evaluated. The synthetic strategy consists of a short sequence of three reactions: (i) condensation of thiosemicarbazide with acid chlorides; (ii) ring closing by 1,3-dibromo-5,5-dimethylhydantoin; and (iii) coupling with various acid chlorides. 5-Chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide (11) was found to selectively inhibit T-type Ca2+ channel over Na+ and K+ channels in mouse dorsal root ganglion neurons and/or human embryonic kidney (HEK)-293 cells and to suppress seizure-induced death in mouse model. Consequently, compound 11 is a useful probe for investigation of physiologic and pathophysiologic roles of the T-channel, and provides a basis to develop a novel therapeutic to treat chronic neuropathic and inflammatory pains.

Carboxy Group as a Remote and Selective Chelating Group for C?H Activation of Arenes

The first example of carboxy group assisted, remote-selective C(sp2)?H activation with a PdII catalyst has been developed and proceeds through a possible κ2 coordination of the carboxy group, thus suppressing the ortho-C?H activation through κ1 coordination. Besides meta-C?H olefination, direct meta-arylation of hydrocinnamic acid derivatives with low-cost aryl iodides has been achieved for the first time. These findings may motivate the exploration of novel reactivities of the carboxy assisted C?H activation reactions with intriguing selectivities.

Rh(III)-Catalyzed meta-C-H Olefination Directed by a Nitrile Template

A range of Rh(III)-catalyzed ortho-C-H functionalizations have been developed; however, extension of this reactivity to remote C-H functionalizations through large-ring rhodacyclic intermediates has yet to be demonstrated. Herein we report the first examp