1-(Biphenyl-4-yl)-2-methylpropan-1-one

Base Information

• Chemical Name: 1-(Biphenyl-4-yl)-2-methylpropan-1-one
• CAS No.: 6976-20-1
• Molecular Formula: C16H16O
• Molecular Weight: 224.302
• NSC Number: 224960,24803
• DSSTox Substance ID: DTXSID50282177
• Nikkaji Number: J688.483K
• Wikidata: Q82016380
• Mol file: 6976-20-1.mol

Synonyms:6976-20-1;1-(biphenyl-4-yl)-2-methylpropan-1-one;2-methyl-1-(4-phenylphenyl)propan-1-one;1-([1,1'-Biphenyl]-4-yl)-2-methylpropan-1-one;1-Biphenyl-4-yl-2-methyl-propan-1-one;p-Phenylisobutyrophenone;1-{[1,1'-biphenyl]-4-yl}-2-methylpropan-1-one;NSC24803;starbld0048365;SCHEMBL2625198;DTXSID50282177;MFCD11205125;NSC-24803;NSC224960;AKOS009164248;NSC-224960;CS-0253586;EN300-6474073;10.14272/FZSKUIANBTUIJW-UHFFFAOYSA-N.1;doi:10.14272/FZSKUIANBTUIJW-UHFFFAOYSA-N.1;Z385413268;1-[1,1 inverted exclamation marka-Biphenyl]-4-yl-2-methyl-1-propanone

Chemical Property of 1-(Biphenyl-4-yl)-2-methylpropan-1-one

Chemical Property:

• Vapor Pressure: 5E-05mmHg at 25°C
• Boiling Point: 348.5°Cat760mmHg
• Flash Point: 149.4°C
• Density: 1.021g/cm³
• XLogP3: 4.4
• 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:

Useful:

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

Technology Process of 1-(Biphenyl-4-yl)-2-methylpropan-1-one

There total 11 articles about 1-(Biphenyl-4-yl)-2-methylpropan-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: 100.0%

biphenyl (92-52-4,1594-86-1) + isobutyryl chloride (79-30-1) → 1-([1,1′-biphenyl]-4-yl)-2-methylpropan-1-one (6976-20-1)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 0 - 20 ℃; for 14.5h;

DOI:10.1021/jo7017119

Reference yield: 91.0%

biphenyl (92-52-4,1594-86-1) + isobutyryl chloride (79-30-1) → 1-([1,1′-biphenyl]-4-yl)-2-methylpropan-1-one (6976-20-1) + 2-methyl-1-[4-[4-(2-methylpropanoyl)phenyl]phenyl]propan-1-one (60951-76-0)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 - 21 ℃; for 20h; Inert atmosphere;

DOI:10.1002/ejoc.202001415

Reference yield: 80.0%

methanol (67-56-1) + α-vinyl-(4-phenyl-phenyl)methanol (170938-13-3) → 1-([1,1′-biphenyl]-4-yl)-2-methylpropan-1-one (6976-20-1)

Guidance literature:

With trifuran-2-yl-phosphane; palladium diacetate; lithium tert-butoxide; at 130 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1002/adsc.202101101

upstream raw materials:

biphenyl

isobutyryl chloride

1-biphenyl-4-yl-propan-1-one

dimethyl sulfate

Downstream raw materials:

ethyl 4-phenylbenzoate

benzyl [1,1’-biphenyl]-4-carboxylate

2-nitro-5a-(4-phenylphenylene)-6,6-dimethyl-5a,6-dihydro-12H-indolo[2,1-b][1,3]benzooxazine

2-(4-phenylphenylene)-3,3-dimethyl-3H-indole

Refernces

• 1、 Santra, Sourav K.,Szpilman, Alex M.. "Visible-Spectrum Solar-Light-Mediated Benzylic C-H Oxygenation Using 9,10-Dibromoanthracene As an Initiator". . p. 1164 - 1171. Retrieved 2020/12/23.
• 2、 Wei, Wan-Xu,Li, Yuke,Wen, Ya-Ting,Li, Ming,Li, Xue-Song,Wang, Cui-Tian,Liu, Hong-Chao,Xia, Yu,Zhang, Bo-Sheng,Jiao, Rui-Qiang,Liang, Yong-Min. "Experimental and Computational Studies of Palladium-Catalyzed Spirocyclization via a Narasaka-Heck/C(sp3or sp2)-H Activation Cascade Reaction". supporting information. p. 7868 - 7875. Retrieved 2021/05/27.