2-Methoxyphenyl 2-phenylbutyrate

Base Information

• Chemical Name: 2-Methoxyphenyl 2-phenylbutyrate
• CAS No.: 40893-04-7
• Molecular Formula: C17H18O3
• Molecular Weight: 270.328
• Hs Code.: 2916399090
• European Community (EC) Number: 255-132-3
• DSSTox Substance ID: DTXSID30961291
• Nikkaji Number: J294.783H
• Mol file: 40893-04-7.mol

Synonyms:2-Methoxyphenyl 2-phenylbutyrate;40893-04-7;EINECS 255-132-3;2-METHOXYPHENYL 2-PHENYLBUTANOATE;DTXSID30961291;alpha-Ethylbenzeneacetic acid 2-methoxyphenyl ester

Chemical Property of 2-Methoxyphenyl 2-phenylbutyrate

Chemical Property:

• Vapor Pressure: 1E-05mmHg at 25°C
• Boiling Point: 371.8°C at 760 mmHg
• Flash Point: 155.8°C
• PSA: 35.53000
• Density: 1.1g/cm³
• LogP: 3.79440
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 270.125594432
• Heavy Atom Count: 20
• Complexity: 297

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC=CC=C1)C(=O)OC2=CC=CC=C2OC

Technology Process of 2-Methoxyphenyl 2-phenylbutyrate

There total 2 articles about 2-Methoxyphenyl 2-phenylbutyrate 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:

2-Phenylbutyryl chloride (36854-57-6) + 2-methoxy-phenol (90-05-1) → 2-methoxyphenyl 2-phenylbutanoate (40893-04-7)

Guidance literature:

With triethylamine; In dichloromethane; at 40 ℃; for 16h; Inert atmosphere;

DOI:10.1002/adsc.200900538

Reference yield:

2-Phenylbutyryl chloride (36854-57-6) + sodium 2-methoxyphenolate (13052-77-2) → 2-methoxyphenyl 2-phenylbutanoate (40893-04-7)

Guidance literature:

With benzene;

Reference yield:

2-methoxyphenyl 2-phenylbutanoate (40893-04-7) → 2-methoxy-phenol (90-05-1)

Guidance literature:

With borate buffer; β‐cyclodextrin; In water; acetonitrile; at 30 ℃; Rate constant; Thermodynamic data; var. of reagents, temp., E_a;

upstream raw materials:

2-Phenylbutyryl chloride

sodium 2-methoxyphenolate

2-methoxy-phenol

Downstream raw materials:

2-methoxy-phenol

Refernces