CLOTRIMAZOLE IMP. A (PHARMEUROPA): (2-CHLOROPHENYL)DIPHENYLMETHANOL

Base Information

• Chemical Name: CLOTRIMAZOLE IMP. A (PHARMEUROPA): (2-CHLOROPHENYL)DIPHENYLMETHANOL
• CAS No.: 66774-02-5
• Molecular Formula: C19H15 Cl O
• Molecular Weight: 294.78
• Hs Code.: 2906299090
• European Community (EC) Number: 641-547-0
• NSC Number: 170882
• UNII: 77N69DJ59Q
• DSSTox Substance ID: DTXSID80305489
• Nikkaji Number: J23.863E
• Wikidata: Q27116355
• Metabolomics Workbench ID: 68451
• ChEMBL ID: CHEMBL116995
• Mol file: 66774-02-5.mol

Synonyms:Methanol,(o-chlorophenyl)diphenyl- (6CI); (2-Chlorophenyl)diphenylmethanol; NSC 170882;TRAM 3; o-Chlorophenyldiphenylmethanol

Chemical Property of CLOTRIMAZOLE IMP. A (PHARMEUROPA): (2-CHLOROPHENYL)DIPHENYLMETHANOL

Chemical Property:

• Vapor Pressure: 8.49E-09mmHg at 25°C
• Melting Point: 91-92 °C(Solv: acetic acid (64-19-7))
• Boiling Point: 447.6°C at 760 mmHg
• PKA: 12.36±0.29(Predicted)
• Flash Point: 224.5°C
• PSA: 20.23000
• Density: 1.216g/cm³
• LogP: 4.62420
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 294.0811428
• Heavy Atom Count: 21
• Complexity: 300

Purity/Quality:

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

(2-Chlorophenyl)diphenylmethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)O
• Uses: (2-Chlorophenyl)diphenylmethane is a triarylmethane with antiproliferative activity. (2-Chlorophenyl)diphenylmethane is a degradation product of the antifungal agent Clotrimazole (C587400). (2-Chlorophenyl)diphenylmethane (Clotrimazole EP Impurity A) is a triarylmethane with antiproliferative activity. (2-Chlorophenyl)diphenylmethane is a degradation product of the antifungal agent Clotrimazole (C587400). Clotrimazole Related Compound A

Technology Process of CLOTRIMAZOLE IMP. A (PHARMEUROPA): (2-CHLOROPHENYL)DIPHENYLMETHANOL

There total 12 articles about CLOTRIMAZOLE IMP. A (PHARMEUROPA): (2-CHLOROPHENYL)DIPHENYLMETHANOL 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: 97.7%

→ o-chlorotriphenylmethanol (66774-02-5)

Guidance literature:

Reference yield: 93.0%

clotrimazole (23593-75-1) → o-chlorotriphenylmethanol (66774-02-5)

Guidance literature:

With hydrogenchloride; for 2h; Heating;

DOI:10.1021/jm070663s

Reference yield: 71.0%

clotrimazole (23593-75-1) → 1H-imidazole (288-32-4) + o-chlorotriphenylmethanol (66774-02-5)

Guidance literature:

With hydrogenchloride; In water; acetonitrile; at 80 ℃; for 2h;

DOI:10.3390/molecules24122333

upstream raw materials:

2-chlorophenylmagnesium bromide

benzophenone

2-chlorophenyllithium

methyl chlorobenzoate

Downstream raw materials:

(2R)-2-amino-3-(((2-chlorophenyl)(diphenyl)methyl)sulfanyl)propanoic acid

benzophenone

(2-chlorophenyl)(phenyl)methanone

1-(2-chlorophenyl)-1,1-diphenyl methane

Refernces

• 1、 Nakamura, Yu,Yoshida, Suguru,Hosoya, Takamitsu. "Facile synthesis of phthalides from methyl ortho-iodobenzoates and ketones via an iodinemagnesium exchange reaction using a silylmethyl Grignard reagent". supporting information. p. 858 - 861. Retrieved 2017/06/13.
• 2、 Kethe, Anila,Tracy, Adam F.,Klumpp, Douglas A.. "Protolytic defluorination of trifluoromethyl-substituted arenes". experimental part. p. 4545 - 4549. Retrieved 2011/07/29.