2-Chloro-4'-methylbenzophenone

Base Information

• Chemical Name: 2-Chloro-4'-methylbenzophenone
• CAS No.: 5953-00-4
• Molecular Formula: C14H11ClO
• Molecular Weight: 230.694
• Hs Code.: 2914700090
• NSC Number: 10205
• UNII: 62484FS8TW
• DSSTox Substance ID: DTXSID70208218
• Nikkaji Number: J2.296.751G
• Wikidata: Q83082321
• Mol file: 5953-00-4.mol

Synonyms:2-Chloro-4'-methylbenzophenone;5953-00-4;(2-chlorophenyl)(4-methylphenyl)methanone;(2-chlorophenyl)-(4-methylphenyl)methanone;Methanone, (2-chlorophenyl)(4-methylphenyl)-;BENZOPHENONE, 2-CHLORO-4'-METHYL-;NSC 10205;NSC-10205;BRN 2577684;MFCD01463397;4-07-00-01404 (Beilstein Handbook Reference);NSC10205;SCHEMBL195683;DTXSID70208218;62484FS8TW;(2-chlorophenyl)-(p-tolyl)methanone;AKOS009346646;CCG-325538;LS-38883;CS-0262322;EN300-82123;AE-562/12222203;Z385421216

Chemical Property of 2-Chloro-4'-methylbenzophenone

Chemical Property:

• Vapor Pressure: 1.97E-05mmHg at 25°C
• Boiling Point: 362.1°C at 760 mmHg
• Flash Point: 196.4°C
• PSA: 17.07000
• Density: 1.178g/cm³
• LogP: 3.87940
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 230.0498427
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

(2-Chlorophenyl)(4-methylphenyl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2Cl

Technology Process of 2-Chloro-4'-methylbenzophenone

There total 21 articles about 2-Chloro-4'-methylbenzophenone 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%

para-bromotoluene (106-38-7) + 2-chloro-benzaldehyde (89-98-5) → (2-chlorophenyl)(p-tolyl)methanone (5953-00-4)

Guidance literature:

para-bromotoluene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

2-chloro-benzaldehyde; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

With iodine; potassium carbonate; In tert-butyl alcohol; for 16h; Reflux;

DOI:10.1016/j.tet.2011.12.023

Reference yield: 91.0%

carbon monoxide (201230-82-2) + 4-tolyl iodide (624-31-7) + 2-Chlorobenzeneboronic acid (3900-89-8) → (2-chlorophenyl)(p-tolyl)methanone (5953-00-4)

Guidance literature:

With potassium phosphate; nickel dichloride; Trimethylacetic acid; at 80 ℃; for 6h; under 760.051 Torr;

DOI:10.1039/c4ra10739j

Reference yield: 77.0%

o-chlorobenzoyl chloride (609-65-4) + toluene (108-88-3,15644-74-3,16713-13-6) → (2-chlorophenyl)(p-tolyl)methanone (5953-00-4)

Guidance literature:

antimonypentachloride; N-benzyl-N,N,N-triethylammonium chloride; In nitromethane; for 2.5h; Heating;

DOI:10.1002/adsc.200303233

upstream raw materials:

tetrachloromethane

1-methyl-4-nitrosobenzene

p-Toluic acid

chlorobenzene

Downstream raw materials:

(2-chlorophenyl)(p-tolyl)methanol

(E)-3-(2-Chloro-phenyl)-3-p-tolyl-acrylic acid ethyl ester

1-(4-(2-chlorobenzoyl)benzoyl)-3-thiosemicarbazide

C₁₄H₈Cl₂O₂

Refernces

• 1、 Yu, Dezhong,Xu, Fangning,Li, Dan,Han, Wei. "Transition-Metal-Free Carbonylative Suzuki-Miyaura Reactions of Aryl Iodides with Arylboronic Acids Using N-Formylsaccharin as CO Surrogate". supporting information. p. 3102 - 3107. Retrieved 2019/05/21.
• 2、 -. "At normal pressure fragrant ketone nickel catalytic synthesis method". Paragraph 0003; 0017; 0027-0033. . Retrieved 2017/08/02.