1-(3-Methyl[1,1a(2)-biphenyl]-2-yl)ethanone

Base Information

• Chemical Name: 1-(3-Methyl[1,1a(2)-biphenyl]-2-yl)ethanone
• CAS No.: 223785-68-0
• Molecular Formula: C15H14O
• Molecular Weight: 210.276
• DSSTox Substance ID: DTXSID501274978
• Nikkaji Number: J1.720.738E
• Mol file: 223785-68-0.mol

Synonyms:SCHEMBL5725387;DTXSID501274978;1-(3-Methyl[1,1a(2)-biphenyl]-2-yl)ethanone;223785-68-0

Chemical Property of 1-(3-Methyl[1,1a(2)-biphenyl]-2-yl)ethanone

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 210.104465066
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(3-Methyl[1,1a(2)-biphenyl]-2-yl)ethanone

There total 2 articles about 1-(3-Methyl[1,1a(2)-biphenyl]-2-yl)ethanone 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: 82.0%

5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane (5123-13-7) + 2-Methylacetophenone (577-16-2,122382-54-1) → 1-O-tolyl-ethanol (7287-82-3) + 1-(3-methyl-biphenyl-2-yl)-ethanone (223785-68-0)

Guidance literature:

With 3,3-dimethyl-butan-2-one; carbonyl bis(hydrido)tris(triphenylphosphine)ruthenium(II); In toluene; at 115 ℃; for 1h;

DOI:10.1021/ja043334n

Reference yield: 82.0%

3,3-dimethyl-butan-2-one (75-97-8) + 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane (5123-13-7) + 2-Methylacetophenone (577-16-2,122382-54-1) → 5,5-dimethyl-2-(1,2,2-trimethyl-propoxy)1,3,2dioxaborinane + B(OCH(C6H4CH3)(CH3))(C(CH3)2(CH2O)2) + 1-(3-methyl-biphenyl-2-yl)-ethanone (223785-68-0)

Guidance literature:

carbonyl bis(hydrido)tris(triphenylphosphine)ruthenium(II); In further solvent(s); 2'-methylacetophenone reacted with 5,5-dimethyl-2-phenyl(1.3.2)dioxaborinane in pinacolone using catalyst RuH2(CO)(PPh3)3 at 115°C; NMR, MS;

DOI:10.1021/ja043334n

upstream raw materials:

5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane

2-Methylacetophenone

3,3-dimethyl-butan-2-one