2,4'-Dichlorobenzophenone

Base Information

• Chemical Name: 2,4'-Dichlorobenzophenone
• CAS No.: 85-29-0
• Molecular Formula: C13H8Cl2O
• Molecular Weight: 251.112
• Hs Code.: 29143990
• European Community (EC) Number: 201-596-7
• NSC Number: 3221
• UNII: H3N0V78I65
• DSSTox Substance ID: DTXSID6058920
• Nikkaji Number: J37.614K
• Wikidata: Q27279599
• ChEMBL ID: CHEMBL1862965
• Mol file: 85-29-0.mol

Synonyms:2,4'-Dichlorobenzophenone;85-29-0;(2-Chlorophenyl)(4-chlorophenyl)methanone;Methanone, (2-chlorophenyl)(4-chlorophenyl)-;(2-chlorophenyl)-(4-chlorophenyl)methanone;Benzophenone, 2,4'-dichloro-;MFCD00038744;H3N0V78I65;NSC 3221;NSC-3221;EINECS 201-596-7;AI3-15228;NSC3221;o,p-Dichlorobenzophenone;2,4'-dichlorbenzophenon;o,p'-Dichlorobenzophenone;2,4/'-Dichlorobenzophenone;UNII-H3N0V78I65;SCHEMBL2991958;CHEMBL1862965;DTXSID6058920;YXMYPHLWXBXNFF-UHFFFAOYSA-;2,41-DICHLOROBENZOPHEWONE;DICHLOROBENZOPHENONE, O,P'-;DNDI1268116;AKOS000118045;CS-W012633;AS-14422;SY033622;(2-chlorophenyl)(4-chloro phenyl)methanone;(2-Chlorophenyl)(4-chlorophenyl)methanone #;D0230;FT-0610046;EN300-27412;D70596;2,4 inverted exclamation mark -Dichlorobenzophenone;W-104088;Q27279599;Z235348195

Chemical Property of 2,4'-Dichlorobenzophenone

Chemical Property:

• Appearance/Colour: White crystal powder
• Melting Point: 64 °C
• Refractive Index: 1.5555 (estimate)
• Boiling Point: 367.2 °C at 760 mmHg
• Flash Point: 155.2 °C
• PSA: 17.07000
• Density: 1.311 g/cm³
• LogP: 4.22440
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Soluble), Methanol (Slightly)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 249.9952203
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

2,4''-Dichlorobenzophenone ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38-38-37-36
• Safety Statements: 26-36/37/39-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)Cl
• Uses: 2,4''-Dichlorobenzophenone is used in the synthesis of triarylcarbinol analogs of fenarimol as potent inhibitors of Trypanosoma cruzi. It can also be used to prepare fatty acid amide hydrolase inhibitors.

Technology Process of 2,4'-Dichlorobenzophenone

There total 28 articles about 2,4'-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: 95.0%

1-Chloro-4-iodobenzene (637-87-6) + chloroform (67-66-3,8013-54-5) + 2-Chlorobenzeneboronic acid (3900-89-8) → 2,4'-dichlorobenzophenone (85-29-0)

Guidance literature:

With cesiumhydroxide monohydrate; sodium carbonate; sodium iodide; Trimethylacetic acid; In water; ethylene glycol; at 120 ℃; for 24h; Reagent/catalyst; Solvent;

Reference yield: 91.0%

o-chlorobenzoyl chloride (609-65-4) + chlorobenzene (108-90-7) → 2,4'-dichlorobenzophenone (85-29-0)

Guidance literature:

With aluminum (III) chloride; at 90 ℃;

DOI:10.1021/jm2015809

Reference yield: 90.0%

1-Chloro-4-iodobenzene (637-87-6) + 2-Chlorobenzeneboronic acid (3900-89-8) + Trimethylacetic acid (75-98-9) → 2,4'-dichlorobenzophenone (85-29-0)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; sodium carbonate; sodium iodide; iron(II) chloride; In chloroform; at 120 ℃; for 24h;

upstream raw materials:

1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethylene

o-Chlorophenyl-1-p'-chlorophenylmethane

chlorobenzene

para-chlorobenzoic acid

Downstream raw materials:

3-(2-chloro-phenyl)-3-(4-chloro-phenyl)-2-cyano-acrylic acid ethyl ester

o-Chlorophenyl-1-p'-chlorophenylmethane

1-(o-chlorophenyl)-1-(p-chlorophenyl)ethane

1,2-Dichloro-2-o-chlorophenyl-2-p'-chlorophenylethane

Refernces

• 1、 Liu, Kui,Tao, Shou-Wei,Qian, Chun,Zhu, Yong-Ming. "Pd-Catalyzed Suzuki–Miyaura Cross-Coupling of Arylboronic Acids and α-Iminonitriles through C–CN Bond Activation". supporting information. p. 4769 - 4775. Retrieved 2018/09/06.
• 2、 -. "A iron catalytic carbonylation of two fragrant ketone method (by machine translation)". Paragraph 0065; 0066; 0103. . Retrieved 2017/01/31.