4-Allyl-2-methoxyphenyl isobutyrate

Base Information

• Chemical Name: 4-Allyl-2-methoxyphenyl isobutyrate
• CAS No.: 84604-53-5
• Molecular Formula: C14H18 O3
• Molecular Weight: 234.295
• European Community (EC) Number: 283-334-1
• DSSTox Substance ID: DTXSID70233585
• Nikkaji Number: J333.503H
• Wikidata: Q65225845
• Mol file: 84604-53-5.mol

Synonyms:4-Allyl-2-methoxyphenyl isobutyrate;EINECS 283-334-1;84604-53-5;eugenol isobutyrate;eugenyl isobutyrate;SCHEMBL19900387;DTXSID70233585;Q65225845;2-Methylpropanoic acid 2-methoxy-4-(2-propenyl)phenyl ester

Chemical Property of 4-Allyl-2-methoxyphenyl isobutyrate

Chemical Property:

• Vapor Pressure: 0.00135mmHg at 25°C
• Boiling Point: 297.5°C at 760 mmHg
• Flash Point: 120.7°C
• PSA: 35.53000
• Density: 1.023g/cm³
• LogP: 2.98510
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 234.125594432
• Heavy Atom Count: 17
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)OC1=C(C=C(C=C1)CC=C)OC

Technology Process of 4-Allyl-2-methoxyphenyl isobutyrate

There total 1 articles about 4-Allyl-2-methoxyphenyl isobutyrate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

4-allylguaiacol (97-53-0) + isobutyryl chloride (79-30-1) → 4-allyl-2-methoxyphenyl isobutyrate (84604-53-5)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.tet.2012.01.083

Reference yield: 78.0%

4-allyl-2-methoxyphenyl isobutyrate (84604-53-5) → (E)-2-methoxy-4-(1-propen-1-yl)phenyl isobutyrate (84604-51-3)

Guidance literature:

With dichloro-bis-μ-chloro-bis[(1-3η:6-8η)-2,7-dimethyloctadienediyl]diruthenium(II); In methanol; at 80 ℃; for 4h; diastereoselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1016/j.tet.2012.01.083

upstream raw materials:

4-allylguaiacol

isobutyryl chloride

Downstream raw materials:

(E)-2-methoxy-4-(1-propen-1-yl)phenyl isobutyrate

Refernces

• 1、 Díaz-álvarez, Alba E.,Crochet, Pascale,Cadierno, Victorio. "A general route for the stereoselective synthesis of (E)-(1-propenyl)phenyl esters by catalytic CC bond isomerization". experimental part. p. 2611 - 2620. Retrieved 2012/05/20.