1,2-Bis(4-methylphenyl)ethan-1-one

Base Information

• Chemical Name: 1,2-Bis(4-methylphenyl)ethan-1-one
• CAS No.: 51490-06-3
• Molecular Formula: C16H16O
• Molecular Weight: 224.302
• DSSTox Substance ID: DTXSID10500642
• Nikkaji Number: J864.454C
• Wikidata: Q82352413
• Mol file: 51490-06-3.mol

Synonyms:1,2-bis(4-methylphenyl)ethan-1-one;51490-06-3;1,2-BIS(4-METHYLPHENYL)ETHANONE;1,2-Dip-tolylethanone;1,2-Di-p-tolyl-ethanone;1,2-di-p-tolylethan-1-one;SCHEMBL5218244;DTXSID10500642;VQZHHGTXTKDMEJ-UHFFFAOYSA-N;BCA49006;AKOS005198876;CCG-306039;CS-0262468;EN300-82733;Z385421170

Chemical Property of 1,2-Bis(4-methylphenyl)ethan-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 3.72880
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 224.120115130
• Heavy Atom Count: 17
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2-Bis(4-methylphenyl)ethan-1-one

There total 50 articles about 1,2-Bis(4-methylphenyl)ethan-1-one 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: 95.0%

2-oxo-1,2-di-p-tolylethyl benzoate (115377-82-7) → 1,2-di-p-tolyl-ethanone (51490-06-3)

Guidance literature:

With palladium(II) trifluoroacetate; hydrogen; [(4S)-4-[5-bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphanyl-1,3-benzodioxol-4-yl]-4,5,6,7-tetrahydro-1,3-benzodioxol-5-yl]-bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphane; In acetone; at 35 ℃; for 48h; under 22502.3 Torr; chemoselective reaction; Glovebox; Autoclave;

DOI:10.1002/anie.201603590

Reference yield: 95.0%

4-methyl-benzoic acid 2-oxo-1,2-di-p-tolyl-ethyl ester → 1,2-di-p-tolyl-ethanone (51490-06-3)

Guidance literature:

With palladium(II) trifluoroacetate; hydrogen; [(4S)-4-[5-bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphanyl-1,3-benzodioxol-4-yl]-4,5,6,7-tetrahydro-1,3-benzodioxol-5-yl]-bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphane; In acetone; at 60 ℃; for 24h; under 45004.5 Torr; chemoselective reaction; Glovebox; Autoclave;

DOI:10.1002/anie.201603590

Reference yield: 93.0%

4-methyl-benzoyl chloride (874-60-2) → 1,2-di-p-tolyl-ethanone (51490-06-3)

Guidance literature:

With samarium; In N,N-dimethyl-formamide; at 60 ℃; for 1h;

DOI:10.1081/SCC-200034825

upstream raw materials:

1,2-bis(4-methylphenyl)acetylene

bis(4-methylphenyl)-acetaldehyde

di-p-tolyl-acetaldehyde-semicarbazone

4,4'-dimethylbenzil monohydrazone

Downstream raw materials:

NH-2,3,4,5-tetra(4-methylphenyl)pyrrole

(E)-4,4'-dimethylstilbene

4-tolylacetic acid

4,5-bis(p-tolyl)thiazol-2-ylamine