Methyl triphenylacetate

Base Information

• Chemical Name: Methyl triphenylacetate
• CAS No.: 5467-21-0
• Molecular Formula: C21H18 O2
• Molecular Weight: 302.373
• Hs Code.: 2916399090
• NSC Number: 28082
• DSSTox Substance ID: DTXSID30282812
• Nikkaji Number: J354.245I
• Wikidata: Q82017178
• Pharos Ligand ID: 4TVU7C9HV23G
• ChEMBL ID: CHEMBL270495
• Mol file: 5467-21-0.mol

Synonyms:methyl triphenylacetate;methyl 2,2,2-triphenylacetate;5467-21-0;triphenylacetic acid methyl ester;CHEMBL270495;NSC28082;2-TRIPHENYL METHYL ACETIC ACID;methyl triphenyl-acetate;SCHEMBL7258414;DTXSID30282812;ZPGOQUZHRVSLML-UHFFFAOYSA-N;BDBM50371380;NSC-28082;benzeneacetic acid, .alpha.,.alpha.-diphenyl-, methyl ester

Chemical Property of Methyl triphenylacetate

Chemical Property:

• Vapor Pressure: 3.73E-07mmHg at 25°C
• Melting Point: 182 °C
• Boiling Point: 416.8°Cat760mmHg
• Flash Point: 148°C
• PSA: 26.30000
• Density: 1.122g/cm³
• LogP: 4.19400
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 302.130679813
• Heavy Atom Count: 23
• Complexity: 326

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of Methyl triphenylacetate

There total 24 articles about Methyl triphenylacetate 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: 96.0%

triphenylacetic acid (595-91-5) + dimethyl sulfate (77-78-1) → methyl 2,2,2-triphenylacetate (5467-21-0)

Guidance literature:

With potassium carbonate; In acetone;

DOI:10.1016/j.tetlet.2006.07.136

Reference yield: 25.0%

1-triphenylmethylpyrrole (85684-89-5) → methyl 1H-pyrrole-1-carboxylate (4277-63-8) + 9-Phenylfluorene (789-24-2) + methyl 2,2,2-triphenylacetate (5467-21-0)

Guidance literature:

With n-butyllithium; In hexane; N,N-dimethyl-formamide; for 2h; Ambient temperature;

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 1-triphenylmethylpyrrole (85684-89-5) + carbon dioxide (124-38-9,18923-20-1) → methyl 1H-pyrrole-1-carboxylate (4277-63-8) + 9-Phenylfluorene (789-24-2) + methyl 2,2,2-triphenylacetate (5467-21-0)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction. Yields of byproduct given; 1.) DMF, room temperature, 2 h; ether, 2.) ether, 0 deg C;

upstream raw materials:

diazomethane

triphenylacetic acid

methanol

triphenylacetyl chloride

Downstream raw materials:

N-(4-methoxyphenyl)-2,2,2-triphenyl-acetamide

formaldehyd

triphenylmethane

benzoic acid methyl ester