4194-00-7

Basic information

• Product Name: 2-methoxy-4-prop-1-enylphenyl benzoate
• Synonyms: Benzoic acid 2-methoxy-4-(1-propenyl)phenyl ester;Ai3-02948;Einecs 224-074-0;Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate;Phenol, 2-methoxy-4-(1-propenyl)-, benzoate;2-methoxy-4-prop-1-enylphenyl benzoate;2-methoxy-4-(1-propenyl)-pheno benzoate;isoeugenyl benzoate
• CAS NO: 4194-00-7
• Molecular Formula: C₁₇H₁₆O₃
• Molecular Weight: 268.30714
• EINECS: 224-074-0
• Mol File: 4194-00-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 444.4°Cat760mmHg
• Flash Point: 190.1°C
• Appearance: /
• Density: 1.128g/cm³
• Vapor Pressure: 4.3E-08mmHg at 25°C
• Refractive Index: 1.591
• CAS DataBase Reference: 2-methoxy-4-prop-1-enylphenyl benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-methoxy-4-prop-1-enylphenyl benzoate(4194-00-7)
• EPA Substance Registry System: 2-methoxy-4-prop-1-enylphenyl benzoate(4194-00-7)

Safety Data

• Hazardous Substances Data: 4194-00-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C17H16O3/c1-3-7-13-10-11-15(16(12-13)19-2)20-17(18)14-8-5-4-6-9-14/h3-12H,1-2H3/b7-3+

Upstream product

• 5932-68-3 (E)-2-methoxy-4-(1-propenyl)phenol 
• 97-54-1 2-methoxy-4-propenylphenol 
• 98-88-4 benzoyl chloride 
• 531-26-0 2-methoxy-4-allylphenyl benzoate 
• 97-53-0 4-allylguaiacol 
• 65-85-0 benzoic acid 
• 77-78-1 dimethyl sulfate 
• 93-97-0 benzoic acid anhydride 

Downstream Products

• 121-33-5 vanillin 

Relevant articles and documents

A general route for the stereoselective synthesis of (E)-(1-propenyl)phenyl esters by catalytic CC bond isomerization

A general and efficient procedure for the stereoselective synthesis of (E)-(1-propenyl)phenyl esters from readily accessible allylphenols has been developed. The process involves a two-step sequence consisting of the initial acylation of the allylphenols with an acid chloride, followed by catalytic CC bond isomerization in the resulting allylphenyl esters. The latter step was performed in methanol at 80 °C using catalytic amounts (0.5 mol %) of the commercially available bis(allyl)-ruthenium(IV) dimer [{RuCl(μ-Cl) (η3:η3-C10H16)} 2] (C10H16=2,7-dimethylocta-2,6-diene-1,8-diyl) . Reactions proceeded in high yields (68-93%) and short times (4-9 h) with complete E-selectivity.