4-Acetylbibenzyl

Base Information

• Chemical Name: 4-Acetylbibenzyl
• CAS No.: 785-78-4
• Molecular Formula: C16H16O
• Molecular Weight: 224.302
• Hs Code.: 2914399090
• European Community (EC) Number: 212-323-6
• UNII: CW3P2K55C8
• DSSTox Substance ID: DTXSID90229127
• Nikkaji Number: J193.177F
• Wikidata: Q72434845
• Mol file: 785-78-4.mol

Synonyms:4-Acetylbibenzyl;785-78-4;1-[4-(2-Phenylethyl)phenyl]ethanone;1-(4-phenethylphenyl)ethanone;4'-phenethylacetophenone;1-(4-(2-Phenylethyl)phenyl)ethan-1-one;Ethanone, 1-[4-(2-phenylethyl)phenyl]-;CW3P2K55C8;EINECS 212-323-6;1-[4-(2-phenylethyl)phenyl]ethan-1-one;Ethanone, 1-(4-(2-phenylethyl)phenyl)-;1-(4-(2-PHENYLETHYL)PHENYL)ETHANONE;UNII-CW3P2K55C8;4-acetylbibenzyl, AldrichCPR;SCHEMBL2354530;DTXSID90229127;1-(4-Phenethylphenyl)ethan-1-one;MFCD00070637;AKOS015837770;1-[4-(2-Phenylethyl)phenyl]ethanone #;CS-0363538;FT-0682060;A839448

Chemical Property of 4-Acetylbibenzyl

Chemical Property:

• Vapor Pressure: 7.4E-05mmHg at 25°C
• Melting Point: 68 °C
• Refractive Index: 1.569
• Boiling Point: 342.7 °C at 760 mmHg
• Flash Point: 146.2 °C
• PSA: 17.07000
• Density: 1.045 g/cm³
• LogP: 3.67440
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 224.120115130
• Heavy Atom Count: 17
• Complexity: 232

Purity/Quality:

98%Min ^*data from raw suppliers

4-Acetylbibenzyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)CCC2=CC=CC=C2
• Uses: 4-Acetylbibenzyl is a useful research intermediate for organic synthesis.

Technology Process of 4-Acetylbibenzyl

There total 47 articles about 4-Acetylbibenzyl 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: 98.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + para-bromoacetophenone (99-90-1) → 4-phenethylacetophenone (785-78-4)

Guidance literature:

styrene; para-bromoacetophenone; With sodium acetate; In N,N-dimethyl acetamide; at 100 ℃; Inert atmosphere;

With hydrogen; In N,N-dimethyl acetamide; at 20 ℃; under 760.051 Torr;

DOI:10.1002/adsc.200800460

Reference yield: 97.0%

(2-phenylethyl)boronic acid (34420-17-2) + 4-acetophenyl triflate (109613-00-5) → 4-phenethylacetophenone (785-78-4)

Guidance literature:

With potassium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In tetrahydrofuran; water; for 18h; Heating;

DOI:10.1016/S0040-4020(02)00009-1

Reference yield: 96.0%

4-acetophenyl triflate (109613-00-5) + potassium trifluoro(phenethyl)borate → 4-phenethylacetophenone (785-78-4)

Guidance literature:

With caesium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In tetrahydrofuran; water; for 18h; Heating;

DOI:10.1021/ol006896u

upstream raw materials:

1,1'-(1,2-ethanediyl)bisbenzene

acetyl chloride

1-(4-ethylphenyl)-2-phenylethane

1-phenyl-2-(trifluorosilyl)ethane

Downstream raw materials:

p-(2-Phenylethyl)-phenyl-glyoxal

1-Phenyl-2-(4-dibromacetyl-phenyl)-ethan

Hexahydro-2-(α-methyl-p-phenethylbenzylimino)-azepine hydrochloride

2-bromo-1-[4-(2-phenylethyl)phenyl]ethanone

Refernces

• 1、 Yang, Xu-Wen,Li, Dong-Hui,Song, A-Xiang,Liu, Feng-Shou. ""bulky-Yet-Flexible" α-Diimine Palladium-Catalyzed Reductive Heck Cross-Coupling: Highly Anti-Markovnikov-Selective Hydroarylation of Alkene in Air". . p. 11750 - 11765. Retrieved 2020/10/23.
• 2、 Hashizume, Daisuke,Hosoya, Takamitsu,Nakamura, Kei,Ohmiya, Hirohisa,Sato, Yukiya,Sumida, Yuto. "Generation of Alkyl Radical through Direct Excitation of Boracene-Based Alkylborate". supporting information. p. 9938 - 9943. Retrieved 2020/06/27.