23005-56-3

Basic information

• Product Name: 2-{[1-(4-methylphenyl)ethoxy]carbonyl}benzoic acid
• CAS NO: 23005-56-3
• Molecular Formula: C₁₇H₁₆O₄
• Molecular Weight: 284.3065
• Mol File: 23005-56-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 451.8°C at 760 mmHg
• Flash Point: 165.2°C
• Density: 1.214g/cm³
• Vapor Pressure: 5.97E-09mmHg at 25°C
• Refractive Index: 1.589
• CAS DataBase Reference: 2-{[1-(4-methylphenyl)ethoxy]carbonyl}benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-{[1-(4-methylphenyl)ethoxy]carbonyl}benzoic acid(23005-56-3)
• EPA Substance Registry System: 2-{[1-(4-methylphenyl)ethoxy]carbonyl}benzoic acid(23005-56-3)

Safety Data

• Hazardous Substances Data: 23005-56-3(Hazardous Substances Data)

Upstream product

• 85-44-9 phthalic anhydride 
• 536-50-5 CH₃C₆H₄CH(CH₃)OH 

Downstream Products

• 24344-85-2 (+)-1-(4'-methylphenyl)bromoethane 
• 536-50-5 (-)-1-(4'-methylphenyl)ethanol 
• 536-50-5 (+)-1-(4'-methylphenyl)ethanol 

Relevant articles and documents

Preparation of chiral 1-phenylethanols and bromides

A fast, convenient procedure for preparing and resolving moderate to large quantities of chiral secondary alcohols is described.The general procedure involves a one-pot conversion of the ketone (various acetophenones) to the half-ester of a diacid (succinic, phthalic...) and resolution with (+)- and (-)-1-phenylethylamines.Overall yields of the enantiomeric alcohols, the variously substituted 1-phenylethanols, are generally 65-85percent with optical purities of approximately 90percent.Properties and optical rotations of a number of chiral 1-phenylethanols and of the bromides made from them are tabulated.A discussion of optical purity determinations using nmr methods is included and absolute configurations are reported.