898792-67-1

Basic information

• Product Name: ETHYL 5-(4-BROMOPHENYL)-5-OXOVALERATE
• Synonyms: ETHYL 5-(4-BROMOPHENYL)-5-OXOVALERATE
• CAS NO: 898792-67-1
• Molecular Formula: C₁₃H₁₅BrO₃
• Molecular Weight: 299.16
• Mol File: 898792-67-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 388.8°C at 760 mmHg
• Flash Point: 189°C
• Appearance: /
• Density: 1.34g/cm³
• Vapor Pressure: 2.98E-06mmHg at 25°C
• Refractive Index: 1.529
• CAS DataBase Reference: ETHYL 5-(4-BROMOPHENYL)-5-OXOVALERATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 5-(4-BROMOPHENYL)-5-OXOVALERATE(898792-67-1)
• EPA Substance Registry System: ETHYL 5-(4-BROMOPHENYL)-5-OXOVALERATE(898792-67-1)

Safety Data

• Hazardous Substances Data: 898792-67-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H15BrO3/c1-2-17-13(16)5-3-4-12(15)10-6-8-11(14)9-7-10/h6-9H,2-5H2,1H3

Upstream product

• 5205-39-0 ethyl glutaroyl chloride 
• 108-86-1 bromobenzene 

Downstream Products

• 35333-26-7 4-bromo-δ-oxobenzenepentanoic acid 
• 87779-78-0 3-bromo-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one 
• 22647-95-6 5-(4-bromophenyl)pentanoic acid 
• 229006-86-4 3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one 
• 229006-88-6 2-(4-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxylic acid 
• 274673-50-6 3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid methyl ester 
• 350022-61-6 5-hydroxy-3-p-tolyl-6,7,8,9-tetrahydro-5H-benzocycloheptene-6-carboxylic acid methyl ester 
• 350022-60-5 5-oxo-3-p-tolyl-6,7,8,9-tetrahydro-5H-benzocycloheptene-6-carboxylic acid methyl ester 
• 229008-40-6 5-hydroxy-3-p-tolyl-6,7,8,9-tetrahydro-5H-benzocycloheptene-6-carboxylic acid 
• 229008-37-1 2-(4-(1-pyrrolidinyl)phenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxylic acid 
• 229008-36-0 3-(4-pyrrolidin-1-yl-phenyl)-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid methyl ester 
• 229007-64-1 3-(4-piperidin-1-yl-phenyl)-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid methyl ester 
• 229007-65-2 2-(4-piperidinophenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxylic acid 
• 229008-30-4 N-(4-chloromethylphenyl)-2-(4-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxamide 

Relevant articles and documents

QUATERNARY AMMONIUM SALT COMPOUNDS

[Problem] The object of the present invention is to provide a novel compound having 132 adrenergic receptor agonist activity and muscarinic receptor antagonist activity. [Means for Solving the Problem] The present invention is a quaternary ammonium salt compounds represented by formula (I), or a pharmaceutically acceptable salt thereof, with superior β32 adrenergic receptor agonist activity and muscarinic receptor antagonist activity.

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The search for new small-molecule CCR5 antagonists by high-throughput screening (HTS) of the Takeda chemical library using [125I]RANTES and CHO/CCR5 cells led to the discovery of lead compounds (A, B) with a quaternary ammonium or phosphonium m