4'-Chloro-3-phenylpropiophenone

Base Information

• Chemical Name: 4'-Chloro-3-phenylpropiophenone
• CAS No.: 5739-37-7
• Molecular Formula: C15H13ClO
• Molecular Weight: 244.721
• Hs Code.: 2914700090
• NSC Number: 61775
• DSSTox Substance ID: DTXSID50289525
• Nikkaji Number: J1.853.694C
• Wikidata: Q82026854
• Mol file: 5739-37-7.mol

Synonyms:4'-CHLORO-3-PHENYLPROPIOPHENONE;5739-37-7;1-(4-chlorophenyl)-3-phenylpropan-1-one;1-Propanone, 1-(4-chlorophenyl)-3-phenyl-;MFCD03842928;NSC61775;1-Propanone,1-(4-chlorophenyl)-3-phenyl-;SCHEMBL3078714;p-chlorophenyl phenylethyl ketone;DTXSID50289525;GQNOPFDKLUGQEC-UHFFFAOYSA-N;AMY22092;NSC-61775;AKOS009339220;DS-10174;CS-0156326;N10438;A869684

Chemical Property of 4'-Chloro-3-phenylpropiophenone

Chemical Property:

• Vapor Pressure: 3.66E-06mmHg at 25°C
• Melting Point: 78 °C
• Refractive Index: 1.583
• Boiling Point: 386 °C at 760 mmHg
• Flash Point: 214.7 °C
• PSA: 17.07000
• Density: 1.164g/cm³
• LogP: 4.15550
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 244.0654927
• Heavy Atom Count: 17
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

4'-Chloro-3-phenylpropiophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4'-Chloro-3-phenylpropiophenone

There total 54 articles about 4'-Chloro-3-phenylpropiophenone 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: 99.0%

1-(p-chlorophenyl)ethyl alcohol (3391-10-4) + benzyl alcohol (100-51-6,185532-71-2) → 4'-chloro-3-phenylpropiophenone (5739-37-7)

Guidance literature:

With Cu-Ag supported on hydrotalcite; In o-xylene; at 150 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c5ra22542f

Reference yield: 99.0%

4'-chlorochalcone (956-02-5) → 4'-chloro-3-phenylpropiophenone (5739-37-7)

Guidance literature:

With 10% Pd/C; diphenyl sulfide; hydrogen; In methanol; at 20 ℃; for 24h; chemoselective reaction;

DOI:10.1002/adsc.200700571

Reference yield: 98.0%

(E)-1-(4-chlorophenyl)-3-phenyl-2-propen-1-one (22966-22-9) → 4'-chloro-3-phenylpropiophenone (5739-37-7)

Guidance literature:

With hydrogen; palladium; In methanol; for 20h;

DOI:10.1016/S0040-4039(02)02472-3

upstream raw materials:

ethyl 2-benzyl-3-(4-chlorophenyl)-3-oxopropanoate

para-chloroacetophenone

benzyl alcohol

α-Benzyloxy-p-chlorstyrol

Downstream raw materials:

C₂₃H₂₀ClN₃O

4-benzyl-3-(4-chloro-phenyl)-4,5-dihydro-pyrazole-1-carboxylic acid cyclohexylamide

2-benzyl-1-(4-chlorophenyl)prop-2-en-1-one

(E)-1-(4-chlorophenyl)-3-phenyl-2-propen-1-one

Refernces

• 1、 Zhu, Guanxin,Duan, Zheng-Chao,Zhu, Haiyan,Ye, Dongdong,Wang, Dawei. "Selective C-C bonds formation, N-alkylation and benzo[d]imidazoles synthesis by a recyclable zinc composite". supporting information. p. 266 - 270. Retrieved 2021/08/06.
• 2、 Hu, Wenkang,Liu, Hongqiang,Luo, Lan,Wang, Dawei,Zeng, Wei. "BTP-Rh@g-C3N4 as an efficient recyclable catalyst for dehydrogenation and borrowing hydrogen reactions". . . Retrieved 2021/11/16.