alpha-Phenyl-4-methyldeoxybenzoin

Base Information

• Chemical Name: alpha-Phenyl-4-methyldeoxybenzoin
• CAS No.: 41993-27-5
• Molecular Formula: C21H18O
• Molecular Weight: 286.373
• DSSTox Substance ID: DTXSID10455547
• Nikkaji Number: J1.320.038F
• Wikidata: Q82277610
• Mol file: 41993-27-5.mol

Synonyms:alpha-Phenyl-4-methyldeoxybenzoin;41993-27-5;AGN-PC-0NG128;SCHEMBL15105761;DTXSID10455547

Chemical Property of alpha-Phenyl-4-methyldeoxybenzoin

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 286.135765193
• Heavy Atom Count: 22
• Complexity: 323

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of alpha-Phenyl-4-methyldeoxybenzoin

There total 29 articles about alpha-Phenyl-4-methyldeoxybenzoin 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: 93.0%

bromobenzene (108-86-1,52753-63-6) + para-methylacetophenone (122-00-9) → 2,2-diphenyl-1-p-tolylethanone (41993-27-5)

Guidance literature:

With FibreCat^TM 1026; caesium carbonate; In N,N-dimethyl-formamide; at 153 ℃;

DOI:10.1016/S0040-4039(03)01398-4 DOI:10.1016/j.tet.2003.12.065

Reference yield: 80.0%

benzophenone (119-61-9) + p-toluoyl-1H-1,2,3-benzotriazole (59046-28-5) → 2,2-diphenyl-1-p-tolylethanone (41993-27-5)

Guidance literature:

With samarium; titanium tetrachloride; In tetrahydrofuran; for 24h; Heating;

DOI:10.1081/SCC-120021983

Reference yield: 75.0%

benzophenone (119-61-9) + (1H-benzo[d]imidazol-1-yl)(p-tolyl)methanone (28997-00-4) → 2,2-diphenyl-1-p-tolylethanone (41993-27-5)

Guidance literature:

With samarium; titanium tetrachloride; In tetrahydrofuran; for 24h; Heating;

upstream raw materials:

diethyl ether

2,2-diphenyl-3-p-tolyl-oxirane

lithium diethylamide

benzene

Downstream raw materials:

1-(4-methylphenyl)-1,2,2-triphenylethanol

2,2-diphenyl-1-p-tolyl-ethanol

2-Hydroperoxy-2,2-diphenyl-1-p-tolyl-ethanone

1-hydroxy-1,1-diphenyl-2-(4-methylphenyl)ethan-2-one

Refernces

• 1、 -. "Method for preparation of 2-hydroxy-2,2-diphenyl-1-(p-methylphenyl)ethanone". . . Retrieved 2017/03/28.
• 2、 Padmanaban, Mohan,Biju, Akkattu T.,Glorius, Frank. "N-heterocyclic carbene-catalyzed cross-coupling of aromatic aldehydes with activated alkyl halides". supporting information; experimental part. p. 98 - 101. Retrieved 2011/03/19.