4-Allyl-2-methoxyphenyl butyrate

Base Information

• Chemical Name: 4-Allyl-2-methoxyphenyl butyrate
• CAS No.: 65591-12-0
• Molecular Formula: C14H18O3
• Molecular Weight: 234.295
• European Community (EC) Number: 265-838-3
• ChEMBL ID: CHEMBL4161128
• DSSTox Substance ID: DTXSID60984170
• Nikkaji Number: J307.443I
• Wikidata: Q82971307

Synonyms:4-Allyl-2-methoxyphenyl butyrate;65591-12-0;(2-methoxy-4-prop-2-enylphenyl) butanoate;EINECS 265-838-3;AI3-20981;Butanoic acid, 2-methoxy-4-(2-propenyl)phenyl ester;eugenyl butyrate;SCHEMBL9309716;CHEMBL4161128;DTXSID60984170;DVYYXRMJMMFFJQ-UHFFFAOYSA-N;NS00055932;2-METHOXY-4-(PROP-2-EN-1-YL)PHENYL BUTANOATE

Chemical Property of 4-Allyl-2-methoxyphenyl butyrate

Chemical Property:

• Vapor Pressure: 0.000387mmHg at 25°C
• Boiling Point: 317.4°Cat760mmHg
• Flash Point: 130.1°C
• PSA: 35.53000
• Density: 1.024g/cm³
• LogP: 3.12920
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 234.125594432
• Heavy Atom Count: 17
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Allyl-2-methoxyphenyl butyrate

There total 3 articles about 4-Allyl-2-methoxyphenyl butyrate 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: 94.0%

4-allylguaiacol (97-53-0) + butyryl chloride (141-75-3) → 4-(n-propylcarbonyloxy)-3-methoxyallylbenzene (65591-12-0)

Guidance literature:

With pyridine; In tetrahydrofuran; at 50 ℃; for 24h;

DOI:10.1002/chem.201301336

Reference yield: 72.3%

butanoic acid anhydride (106-31-0) + 4-allylguaiacol (97-53-0) → 4-(n-propylcarbonyloxy)-3-methoxyallylbenzene (65591-12-0)

Guidance literature:

With pyridine; In chloroform; at 0 - 20 ℃; for 6h;

DOI:10.1016/j.ejmech.2017.08.030

Reference yield:

→ 4-(n-propylcarbonyloxy)-3-methoxyallylbenzene (65591-12-0)

Guidance literature:

Eugenol, Buttersaeureanhydrid / Py., 20grad;

upstream raw materials:

4-allylguaiacol

butyryl chloride

butanoic acid anhydride

Downstream raw materials:

4-(n-propylcarbonyloxy)-3-methoxystyrene

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