2-(4-Methoxyphenyl)-2-phenylacetic acid

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)-2-phenylacetic acid
• CAS No.: 21749-83-7
• Molecular Formula: C15H14O3
• Molecular Weight: 242.274
• Hs Code.: 2918990090
• European Community (EC) Number: 691-629-5
• DSSTox Substance ID: DTXSID00396011
• Nikkaji Number: J1.402.319D
• Mol file: 21749-83-7.mol

Synonyms:2-(4-Methoxyphenyl)-2-phenylacetic acid;21749-83-7;2-(4-Methoxyphenyl)-2-phenylaceticacid;alpha-(4-Methoxyphenyl)phenylacetic acid;SCHEMBL1716394;DTXSID00396011;(4-Methoxyphenyl)phenylacetic acid;AR3863;MFCD00094073;AKOS005069644;CS-0172579;FT-0638147;BENZENEACETIC ACID,4-METHOXY-A-PHENYL-;A878934;12T-0244;J-506041;2-(4-methoxyphenyl)-2-phenylacetic acid, AldrichCPR

Chemical Property of 2-(4-Methoxyphenyl)-2-phenylacetic acid

Chemical Property:

• Vapor Pressure: 9.12E-07mmHg at 25°C
• Melting Point: 104-108 °C
• Refractive Index: 1.583
• Boiling Point: 389.6°C at 760 mmHg
• Flash Point: 145.4°C
• PSA: 46.53000
• Density: 1.183g/cm³
• LogP: 2.91170
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 263

Purity/Quality:

97% ^*data from raw suppliers

(4-Methoxyphenyl)(phenyl)acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N,T
• Statements: 25-50
• Safety Statements: 45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O

Technology Process of 2-(4-Methoxyphenyl)-2-phenylacetic acid

There total 20 articles about 2-(4-Methoxyphenyl)-2-phenylacetic acid 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: 88.0%

4-Methoxyphenylacetic acid (104-01-8) + bromobenzene (108-86-1,52753-63-6) → α-(4-methoxyphenyl)phenylacetic acid (21749-83-7)

Guidance literature:

4-Methoxyphenylacetic acid; With ethylmagnesium chloride; In tetrahydrofuran; at 20 ℃; for 3h; Inert atmosphere;

bromobenzene; With bis(tri-t-butylphosphine)palladium⁽⁰⁾; In tetrahydrofuran; at 60 ℃; for 2h; Inert atmosphere;

DOI:10.1002/ejoc.201402450

Reference yield: 87.0%

phenylacetic acid (103-82-2) + 1-bromo-4-methoxy-benzene (104-92-7) → α-(4-methoxyphenyl)phenylacetic acid (21749-83-7)

Guidance literature:

With palladium diacetate; potassium hexamethylsilazane; nixantphos; In toluene; at 110 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ol503545j

Reference yield: 84.0%

2-(4-methoxyphenyl)-2-phenylacetonitrile (4578-79-4) → α-(4-methoxyphenyl)phenylacetic acid (21749-83-7)

Guidance literature:

With sulfuric acid; water; acetic acid; at 100 ℃; for 5h;

DOI:10.1248/cpb.31.2632

upstream raw materials:

2-(4-methoxyphenyl)-2-phenylacetonitrile

4-methoxybenzilic acid

2-(4-methoxy-phenyl)-2-phenylacetaldehyde

1-bromo-4-methoxy-benzene

Downstream raw materials:

(4-methoxy-phenyl)-phenyl-acetyl chloride

2-[2-(4-Methoxy-phenyl)-2-phenyl-acetoxy]-benzoic acid 2,2,2-trichloro-ethyl ester

2-(4-methoxyphenyl)-2-phenyl-4-pentenoic acid

2-(4-methoxyphenyl)-2-phenylpropanoic acid