102-17-0

Basic information

• Product Name: ANISYL PHENYLACETATE
• Synonyms: 4-methoxybenzyl;Acetic acid, phenyl-, p-methoxybenzyl ester;Benzeneaceticacid,(4-methoxyphenyl)methylester;p-Anisyl phenylacetate;phenyl-aceticacip-methoxybenzylester;p-Methoxybenzyl phenylacetate;p-methoxybenzylphenylacetate;PHENYLACETIC ACID P-METHOXYBENZYL ESTER
• CAS NO: 102-17-0
• Molecular Formula: C₁₆H₁₆O₃
• Molecular Weight: 256.3
• EINECS: 203-010-5
• Product Categories: A-B;Alphabetical Listings;Flavors and Fragrances
• Mol File: 102-17-0.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 370 °C
• Flash Point: >230 °F
• Appearance: /
• Density: 1.128 g/mL at 25 °C
• Vapor Pressure: 8.13E-06mmHg at 25°C
• Refractive Index: n20/D 1.559
• Solubility: organic solvents: soluble(lit.)
• Water Solubility: 512.6mg/L(25 oC)
• CAS DataBase Reference: ANISYL PHENYLACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: ANISYL PHENYLACETATE(102-17-0)
• EPA Substance Registry System: ANISYL PHENYLACETATE(102-17-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• RTECS: AJ3000000
• Hazardous Substances Data: 102-17-0(Hazardous Substances Data)

Usage

Chemical Properties

Anisyl phenylacetate has an anise-, honey-like, faint, balsamic-rosy odor

Preparation

From anisyl alcohol and phenylacetic acid by direct esterification

Safety Profile

Low toxicity by ingestion and skincontact. A skin irritant. When heated todecomposition it emits acrid smoke and irritating fumes.

InChI:InChI=1/C16H16O3/c1-18-15-9-7-14(8-10-15)12-19-16(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3

Upstream product

• 63075-63-8 phenylacetic p-methoxyphenylacetic anhydride 
• 105-13-5 4-Methoxybenzyl alcohol 
• 103-80-0 phenylacetyl chloride 
• 103-82-2 phenylacetic acid 
• 128472-97-9 N,N'-diisopropyl-O-(4-methoxybenzyl)isourea 
• 103-83-3 N,N'-dimethylbenzylamine 
• 260783-80-0 N,N,N--trimethyl--1--phenylmethanaminium trifluoromethanesulfonate 
• 201230-82-2 carbon monoxide 

Downstream Products

• 1657-55-2 1,2-bis(4-methoxyphenyl)ethane 
• 14310-21-5 1-(4-methoxyphenyl)-2-phenylethane 
• 103-29-7 1,1'-(1,2-ethanediyl)bisbenzene 
• 1374152-80-3 C₂₄H₂₁N₃O₃ 
• 1374152-29-0 methoxybenzyl diazophenylacetate 

Relevant articles and documents

Palladium-catalyzed carbonylation of benzylic ammonium salts to amides and esters: Via C-N bond activation

An efficient palladium-catalyzed carbonylation reaction of readily available quaternary ammonium salts with CO is reported for the first time to afford arylacetamides and arylacetic acid esters via benzylic C-N bond cleavage. This protocol features mild reaction conditions under atmospheric pressure of CO, a redox-neutral process without an additional oxidant, and a broad substrate scope for various kinds of amines, alcohols and phenols.

A convenient preparation of p-methoxybenzyl esters

Carboxylic acids are conveniently and efficiently protected as their p-methoxybenzyl esters under very mild conditions using the pre-formed reagent N,N'-diisopropyl-O-(4-methoxybenzyl)isourea, and this method allows selective protection of carboxylic acids in the presence of other functionalities such as enolisable ketones and alcohol groups.

Synthesis of substituted benzyl esters

A process for preparing certain substituted benzyl esters of phenylacetic acids by esterification in a solvent in which the salt of the acid is insoluble, and in the presence of a phase transfer catalyst.