3,4-Dichlorobenzophenone

Base Information

• Chemical Name: 3,4-Dichlorobenzophenone
• CAS No.: 6284-79-3
• Molecular Formula: C13H8Cl2O
• Molecular Weight: 251.112
• Hs Code.: 2914700090
• NSC Number: 5249
• UNII: A8X2V9A7UW
• DSSTox Substance ID: DTXSID90212014
• Nikkaji Number: J81.176I
• Wikidata: Q69757762
• Mol file: 6284-79-3.mol

Synonyms:3,4-dichlorobenzophenone

Chemical Property of 3,4-Dichlorobenzophenone

Chemical Property:

• Appearance/Colour: light brown to pink-grey crystalline powder
• Vapor Pressure: 7.08E-06mmHg at 25°C
• Melting Point: 100-103 °C
• Refractive Index: 1.603
• Boiling Point: 376.8 °C at 760 mmHg
• Flash Point: 159.3 °C
• PSA: 17.07000
• Density: 1.311 g/cm³
• LogP: 4.22440
• Storage Temp.: 2-8°C
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 249.9952203
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,4-Dichlorobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)Cl)Cl
• Uses: 3,4-Dichlorobenzophenone has been used as a reactant for the preparation of chiral benzyl alcohols.

Technology Process of 3,4-Dichlorobenzophenone

There total 28 articles about 3,4-Dichlorobenzophenone 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%

1,2-dichloro-4-(phenylmethyl)benzene (64543-53-9) → 3,4-dichlorobenzophenone (6284-79-3)

Guidance literature:

With N-Bromosuccinimide; water; In chloroform; for 3h; Reflux;

DOI:10.1016/j.tetlet.2014.06.047

Reference yield: 92.0%

3,4-dichlorobenzoyl formic acid (64471-83-6) + phenylboronic acid (98-80-6) → 3,4-dichlorobenzophenone (6284-79-3)

Guidance literature:

With silver carbonate; In acetonitrile; at 60 ℃; for 1h;

DOI:10.1039/c4ra04361h

Reference yield: 90.0%

α-(3,4-dichlorophenyl)phenylacetic acid (88875-60-9) → 3,4-dichlorobenzophenone (6284-79-3)

Guidance literature:

With dipotassium peroxodisulfate; In water; at 90 ℃; for 12h; Green chemistry;

DOI:10.1016/j.tetlet.2017.06.013

upstream raw materials:

benzoyl chloride

1,2-dichloro-benzene

benzoic acid

Benzotrichlorid

Downstream raw materials:

α-(3,4-dichlorophenyl)-α-phenyl-5-pyrimidinemethanol

N-[(3,4-Dichloro-phenyl)-phenyl-methyl]-formamide

9H-carbazole-3-yl(phenyl)methanone

1-(3-chloro-4-pyrrolidinophenyl)-1-phenylprop-2-yn-1-ol

Refernces

• 1、 Huo, Jie,Xiong, Daokai,Xu, Jun,Yue, Xiaoguang,Zhang, Pengfei,Zhang, Yilan. "Selective oxidation of alkenes to carbonyls under mild conditions". supporting information. p. 5549 - 5555. Retrieved 2021/08/16.
• 2、 Li, Guangchen,Szostak, Michal. "Kinetically Controlled, Highly Chemoselective Acylation of Functionalized Grignard Reagents with Amides by N?C Cleavage". supporting information. p. 611 - 615. Retrieved 2020/01/02.