Phenyl(p-tolyl)acetic acid

Base Information

• Chemical Name: Phenyl(p-tolyl)acetic acid
• CAS No.: 1882-56-0
• Molecular Formula: C₁₅H₁₄O₂
• Molecular Weight: 226.275
• Hs Code.: 2916399090
• NSC Number: 401984
• DSSTox Substance ID: DTXSID001295111
• Nikkaji Number: J54.964I
• Mol file: 1882-56-0.mol

Synonyms:2-(4-Methylphenyl)-2-phenylacetic acid;1882-56-0;Phenyl(p-tolyl)acetic acid;(4-methylphenyl)(phenyl)acetic acid;2-phenyl-2-(p-tolyl)acetic acid;ACETIC ACID, PHENYL-p-TOLYL-;4-Methyl-alpha-phenylbenzeneacetic acid;Benzeneacetic acid, 4-methyl-.alpha.-phenyl-;NSC 401984;BRN 2105437;2-Phenyl-2-(p-tolyl)aceticacid;MFCD00983826;Benzeneacetic acid, 4-methyl-alpha-phenyl-;4-09-00-02541 (Beilstein Handbook Reference);NSC401984;Phenyl-p-tolylessigsaure;F2184-0205;SCHEMBL1551142;DTXSID001295111;AR3875;AKOS015957356;NSC-401984;2-(4-Methyl-phenyl)-2-phenyl-acetic acid;BB 0260601;CS-0172122;EN300-234741;1W-0676;A921162;J-012124

Chemical Property of Phenyl(p-tolyl)acetic acid

Chemical Property:

• Vapor Pressure: 0.000283mmHg at 25°C
• Boiling Point: 309.1°C at 760 mmHg
• Flash Point: 154.9°C
• PSA: 37.30000
• Density: 1.148g/cm³
• LogP: 3.21150
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 248

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Methylphenyl)-2-phenylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O

Technology Process of Phenyl(p-tolyl)acetic acid

There total 30 articles about Phenyl(p-tolyl)acetic 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: 98.0%

2,2,2-trifluoroethyl 2-phenyl-2-(p-tolyl)acetate → 2-(4-methylphenyl)-2-phenylacetic acid (1882-56-0,81928-69-0)

Guidance literature:

With sodium hydroxide; In methanol; for 2h; Reflux; Schlenk technique;

DOI:10.1002/anie.201611809

Reference yield: 80.0%

carbon dioxide (124-38-9,18923-20-1) + 4-methylbenzophenone hydrazone (76981-22-1) → 2-(4-methylphenyl)-2-phenylacetic acid (1882-56-0,81928-69-0)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; caesium carbonate; cesium fluoride; In N,N-dimethyl-formamide; at 80 ℃; for 24h; under 760.051 Torr; chemoselective reaction;

DOI:10.1039/c8sc01299g

Reference yield: 76.0%

carbon dioxide (124-38-9,18923-20-1) + N,N,N-trimethyl-1-phenyl-1-(p-tolyl)methanaminium trifluoromethanesulfonate → 2-(4-methylphenyl)-2-phenylacetic acid (1882-56-0,81928-69-0)

Guidance literature:

With (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; sodium carbonate; caesium carbonate; In N,N-dimethyl-formamide; at 25 - 30 ℃; for 36h; Schlenk technique; Glovebox; Sealed tube; Irradiation;

DOI:10.1021/jacs.8b08792

upstream raw materials:

n-butyllithium

diethyl ether

1-methyl-4-(phenylmethyl)benzene

2-phenyl-3-p-tolyl-succinic acid diamide

Downstream raw materials:

1,2-diphenyl-2-p-tolylethanone

phenyl-p-tolyl-acetic acid amide

phenyl-p-tolyl-acetic acid anilide

phenyl-p-tolyl-acetic acid menthyl ester