1-(4-Benzylphenyl)ethanone

Base Information

• Chemical Name: 1-(4-Benzylphenyl)ethanone
• CAS No.: 782-92-3
• Molecular Formula: C15H14 O
• Molecular Weight: 210.276
• Hs Code.: 2914399090
• European Community (EC) Number: 673-034-2
• NSC Number: 87372
• DSSTox Substance ID: DTXSID30293140
• Nikkaji Number: J695.085J
• Wikidata: Q72435676
• ChEMBL ID: CHEMBL1324678
• Mol file: 782-92-3.mol

Synonyms:1-(4-Benzylphenyl)ethanone;782-92-3;(4-Acetylphenyl)phenylmethane;1-(4-benzylphenyl)ethan-1-one;4-acetyldiphenylmethane;4'-Benzylacetophenone;4-(Acetylphenyl)phenylmethane;(4-Acetylphenyl)phenylmethane,;NSC87372;1-[4-(phenylmethyl)phenyl]ethanone;MLS000682801;1-(4-Benzylphenyl)ethanone #;SCHEMBL2772794;CHEMBL1324678;DTXSID30293140;PPYJQGBEZQOXHC-UHFFFAOYSA-N;(4-Benzylphenyl)(methyl)methanone;HMS2592D19;MFCD00079700;NSC-87372;STL386497;AKOS000266844;PS-8015;SMR000312158;CS-0313882;FT-0676397;A839387;SR-01000596930;SR-01000596930-1

Chemical Property of 1-(4-Benzylphenyl)ethanone

Chemical Property:

• Vapor Pressure: 6.55E-05mmHg at 25°C
• Melting Point: 38 °C
• Boiling Point: 344.5°C at 760 mmHg
• Flash Point: 148.5°C
• PSA: 17.07000
• Density: 1.049g/cm³
• LogP: 3.48000
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 210.104465066
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-Benzylphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)CC2=CC=CC=C2
• Uses: 1-(4-Benzylphenyl)ethanone is used in the preparation of di- and triarylmethanes through palladium-catalyzed reductive coupling of N-tosylhydrazones and aryl bromides.

Technology Process of 1-(4-Benzylphenyl)ethanone

There total 65 articles about 1-(4-Benzylphenyl)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: 97.0%

4-benzylsulfanyl-2,3,5,6-tetrafluoropyridine (943868-13-1) + para-bromoacetophenone (99-90-1) → 1-(4-benzylphenyl)ethanone (782-92-3)

Guidance literature:

With manganese; NiCl₂(bathocuproine); magnesium bromide; In N,N-dimethyl acetamide; at 60 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.joc.1c02897

Reference yield: 96.0%

Diphenylmethane (101-81-5) + acetyl chloride (75-36-5) → 1-(4-benzylphenyl)ethanone (782-92-3)

Guidance literature:

Diphenylmethane; acetyl chloride; With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃; for 2h;

With hydrogenchloride;

Reference yield: 96.0%

4-acetophenyl triflate (109613-00-5) + potassium benzyltrifluoroborate → 1-(4-benzylphenyl)ethanone (782-92-3)

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:

Diphenylmethane

acetyl chloride

4-cyanophenyl methyl ketone

benzyltributyltin

Downstream raw materials:

4'-benzyl-trans-chalcone

[4-(2-indolyl)phenyl]phenylmethane

4-Benzylbenzoic acid

C₄₀H₃₈O₄

Refernces

• 1、 Luo, Jian,Hu, Bo,Wu, Wenda,Hu, Maowei,Liu, T. Leo. "Nickel-Catalyzed Electrochemical C(sp3)?C(sp2) Cross-Coupling Reactions of Benzyl Trifluoroborate and Organic Halides**". supporting information. p. 6107 - 6116. Retrieved 2021/02/01.
• 2、 Li, Zhibin,Zhang, Yan,Li, Kuiliang,Zhou, Zhenghong,Zha, Zhenggen,Wang, Zhiyong. "Selective electrochemical oxidation of aromatic hydrocarbons and preparation of mono/multi-carbonyl compounds". . p. 2134 - 2141. Retrieved 2021/09/29.