(2-((2,6-Dichlorophenyl)amino)phenyl)methanol

Base Information

• Chemical Name: (2-((2,6-Dichlorophenyl)amino)phenyl)methanol
• CAS No.: 27204-57-5
• Molecular Formula: C13H11 Cl2 N O
• Molecular Weight: 268.142
• Hs Code.: 2922199090
• European Community (EC) Number: 641-592-6
• UNII: N15K6R858V
• DSSTox Substance ID: DTXSID10181677
• Nikkaji Number: J1.281.118G
• Wikidata: Q27284377
• Mol file: 27204-57-5.mol

Synonyms:27204-57-5;(2-((2,6-Dichlorophenyl)amino)phenyl)methanol;Diclofenac impurity C;Diclofenac Alcohol (Diclofenac Impurity);[2-(2,6-dichloroanilino)phenyl]methanol;Benzyl alcohol, O-(2,6-dichloroanilino)-;N15K6R858V;Benzenemethanol, 2-((2,6-dichlorophenyl)amino)-;[2-[(2,6-Dichlorophenyl)amino]phenyl]methanol (Diclofenac Impurity);[2-[(2,6-Dichlorophenyl)amino]phenyl]methanol;{2-[(2,6-DICHLOROPHENYL)AMINO]PHENYL}METHANOL;UNII-N15K6R858V;Diclofenac sodium impurity C [EP];Diclofenac Sodium Imp. C (EP);Diclofenac Imp. C (EP);Diclofenac Sodium Impurity C;Diclofenac Impurity C;Diclofenac potassium impurity C [EP];Diclofenac sodium specified impurity C [EP];Diclofenac potassium specified impurity C [EP];SCHEMBL11412764;DTXSID10181677;HFLGAAAKRFLWLN-UHFFFAOYSA-N;AKOS022507472;2-((2,6-dichlorophenyl)amino)benzyl alcohol;{2-[(2,6-Dichlorophenyl)amino]phenyl}-methanol;A899557;DICLOFENAC SODIUM IMPURITY C [EP IMPURITY];J-016690;DICLOFENAC POTASSIUM IMPURITY C [EP IMPURITY];Q27284377;{2-[(2,6-Dichlorophenyl)amino]phenyl}methanol, pharmaceutical impurity standard

Chemical Property of (2-((2,6-Dichlorophenyl)amino)phenyl)methanol

Chemical Property:

• Vapor Pressure: 5.05E-06mmHg at 25°C
• Melting Point: 109-111?C
• Refractive Index: 1.666
• Boiling Point: 366.7°C at 760 mmHg
• PKA: 14.06±0.10(Predicted)
• Flash Point: 175.6°C
• PSA: 32.26000
• Density: 1.387g/cm³
• LogP: 4.30230
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly, Heated), Methanol
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 267.0217694
• Heavy Atom Count: 17
• Complexity: 230

Purity/Quality:

98%Min ^*data from raw suppliers

DiclofenacAlcohol(DiclofenacImpurity) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CO)NC2=C(C=CC=C2Cl)Cl
• Uses: Diclofenac Alcohol (Diclofenac EP Impurity C) is a Diclofenac impurity. Anti-inflammatory. Diclofenac impurity C.

Technology Process of (2-((2,6-Dichlorophenyl)amino)phenyl)methanol

There total 9 articles about (2-((2,6-Dichlorophenyl)amino)phenyl)methanol 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: 53.0%

2-(2,6-dichloro-phenylamino)-N,N-dimethyl-benzamide (51225-04-8) → 2-[(2,6-dichlorophenyl)amino]benzyl alcohol (27204-57-5)

Guidance literature:

With lithium triethylborohydride; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/S0040-4039(00)00111-8

Reference yield:

diclofenac sodium - β-cyclodextrin inclusion complex → 1-(2,6-dichlorophenyl)indolin-2-one (15362-40-0) + 1-(2,6-Dichlorphenyl)-2,3-indoldion (24542-74-3) + 2-[(2,6-dichlorophenyl)amino]benzyl alcohol (27204-57-5) + 4-chloro-10H-9-acridinone

Guidance literature:

at 79.85 ℃; for 17532h; Further Variations:; Temperatures; Kinetics; Activation energy; Thermodynamic data;

DOI:10.1211/0022357991776930

Reference yield:

diclofenac sodium (15307-79-6) → 1-(2,6-dichlorophenyl)indolin-2-one (15362-40-0) + 1-(2,6-Dichlorphenyl)-2,3-indoldion (24542-74-3) + 2-[(2,6-dichlorophenyl)amino]benzyl alcohol (27204-57-5) + 4-chloro-10H-9-acridinone

Guidance literature:

at 79.85 ℃; for 17532h; Further Variations:; Temperatures; Kinetics; Activation energy; Thermodynamic data;

DOI:10.1211/0022357991776930

upstream raw materials:

diclofenac sodium

2-(2,6-dichloro-phenylamino)-N,N-dimethyl-benzamide

diclofenac

2,6-Dichloroaniline

Downstream raw materials:

α-chloro-N-(2,6-dichlorophenyl)-o-toluidine

dimethyl 2-(2',6'-dichloroanilino)phenylmethylphosphonate

Refernces

• 1、 Sanjana,Patnaik,Mohanty,Badamali. "Kinetics and mechanism of oxidation of diclofenac sodium by Keggin type 12-tungstocobalt(III) in aqueous medium". . p. 179 - 182. Retrieved 2018.
• 2、 Salvadori, P. A.,Petroni, D.,Menichetti, L.,Riva, A.,Pisani, P.,Sorace, O.,Poli, M.,Vanasia, M.. "Synthesis of 11C-Labeled Sodium 2-[o-[(2,6-Dichlorophenyl)amino]phenyl]acetate ([11C]Diclofenac Sodium) for PET Studies". . p. S243 - S243. Retrieved 2007/10/03.