902464-64-6

Basic information

• Product Name: 1-(2-benzyloxy-5-chloro-phenyl)-3-[1,3]dioxolan-2-yl-propan-1-one
• Synonyms: 1-(2-benzyloxy-5-chloro-phenyl)-3-[1,3]dioxolan-2-yl-propan-1-one
• CAS NO: 902464-64-6
• Molecular Weight: 346.81
• Mol File: 902464-64-6.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1-(2-benzyloxy-5-chloro-phenyl)-3-[1,3]dioxolan-2-yl-propan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-benzyloxy-5-chloro-phenyl)-3-[1,3]dioxolan-2-yl-propan-1-one(902464-64-6)
• EPA Substance Registry System: 1-(2-benzyloxy-5-chloro-phenyl)-3-[1,3]dioxolan-2-yl-propan-1-one(902464-64-6)

Safety Data

• Hazardous Substances Data: 902464-64-6(Hazardous Substances Data)

Upstream product

• 41220-63-7 2-benzyloxy-5-chlorobenzoic acid chloride 
• 37610-80-3 1,3-dioxolan-2-ylethylmagnesium bromide 
• 52803-75-5 2-(benzyloxy)-5-chlorobenzoic acid 

Downstream Products

• 854195-51-0 3-[2-(5-chloro-2-benzyloxy-phenyl)-5-chloro-pyrrol-1-yl]-benzoic acid ethyl ester 
• 854195-15-6 3-[2-(5-chloro-2-benzyloxy-phenyl)-pyrrol-1-yl]-benzoic acid ethyl ester 

Relevant articles and documents

Structure-activity relationships of 1,5-biaryl pyrroles as EP1 receptor antagonists

The preliminary SAR of a series of novel 1,5-biaryl pyrrole EP1 receptor antagonists derived from compound 1 is described. Replacement of the benzyl group of 1 with isosteric groups was investigated. The most effective replacement was found to be the isobutyl group. The cyclopentylmethyl and cyclohexylmethyl groups were also effective benzyl replacements. The cyclohexylmethyl derivative 19 demonstrated the lowest metabolic clearance within this series. In addition, several high affinity substituted benzyl analogues were also identified. Compound 39 was found to have good bioavailability in rats and demonstrated efficacy in the established FCA preclinical model of inflammatory pain with a calculated ED50 of 9.2 mg/kg.