Diclofenac Methyl Ester

Base Information

• Chemical Name: Diclofenac Methyl Ester
• CAS No.: 15307-78-5
• Molecular Formula: C15H13 Cl2 N O2
• Molecular Weight: 310.18
• Hs Code.: 2922499990
• UNII: N7O8SA4VRI
• DSSTox Substance ID: DTXSID80333888
• Nikkaji Number: J29.888C
• Wikidata: Q82099445
• ChEMBL ID: CHEMBL113852
• Mol file: 15307-78-5.mol

Synonyms:Diclofenac Methyl Ester;15307-78-5;Diclofenac, methyl ester;methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;Aceclofenac Impurity B;Methyl Ester of Diclofenac;N7O8SA4VRI;Methyl 2-(2-(2,6-dichlorophenylamino)-phenyl)acetate;Methyl 2-(2,6-Dichloroanilino)phenylacetate;Methyl [2-(2,6-dichloroanilino)phenyl]acetate;Methyl (2-((2,6-dichlorophenyl)amino)phenyl)acetate;METHYL 2-{2-[(2,6-DICHLOROPHENYL)AMINO]PHENYL}ACETATE;Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, methyl ester;Methyl 2-[2-[(2,6-Dichlorophenyl)amino]phenyl]acetate (Methyl Ester of Diclofenac);Methyl diclofenac;Diclofenac, Me;DiclofenacMethylEster;Diclofenac-methyl ester;UNII-N7O8SA4VRI;Aceclofenac impurity B [EP];CHEMBL113852;SCHEMBL5542139;ACECLOFENAC EP IMPURITY-B;DTXSID80333888;2-[(2,6-Dichlorophenyl)amino]benzeneacetic Acid Methyl Ester;MFCD08273811;AKOS027250756;CS-O-07098;AS-57982;ACECLOFENAC IMPURITY B [EP IMPURITY];FT-0666648;M2903;EN300-7410458;J-008977;2-(2,6-Dichloroanilino)phenylacetic Acid Methyl Ester;methyl 2-(2-(2,6-dichlorophenylamino)phenyl)acetate;Acetic acid, [o-(2,6-dichloroanilino)phenyl]-, methyl ester

Chemical Property of Diclofenac Methyl Ester

Chemical Property:

• Vapor Pressure: 8.72E-06mmHg at 25°C
• Melting Point: 96-99°C
• Refractive Index: 1.618
• Boiling Point: 373.8°C at 760 mmHg
• PKA: -2.74±0.50(Predicted)
• Flash Point: 179.9°C
• PSA: 38.33000
• Density: 1.335g/cm³
• LogP: 4.52550
• Storage Temp.: -20°C Freezer
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 309.0323340
• Heavy Atom Count: 20
• Complexity: 317

Purity/Quality:

98%Min ^*data from raw suppliers

DiclofenacMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl
• Uses: Diclofenac Methyl Ester is the methyl ester analogue of Diclofenac (D436450), a known nonsteroidal anti-inflammatory compound and cyclooxygenase (COX) inhibitor.

Technology Process of Diclofenac Methyl Ester

There total 11 articles about Diclofenac Methyl Ester 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: 96.1%

methyl (2-iodophenyl)acetate (66370-75-0) + 2,6-Dichloroaniline (608-31-1) → 2-[(2,6-dichlorophenyl)amino]phenylacetic acid methyl ester (15307-78-5)

Guidance literature:

With copper(l) iodide; (+)-D-glucosamine hydrochloride; caesium carbonate; In water; dimethyl sulfoxide; at 110 ℃; for 8h; Temperature;

Reference yield: 96.0%

methanol (67-56-1) + [2-(2,6-dichloroanilino)phenyl]acetic acid (15307-86-5) → 2-[(2,6-dichlorophenyl)amino]phenylacetic acid methyl ester (15307-78-5)

Guidance literature:

With sulfuric acid; for 0.25h; Reflux;

DOI:10.2174/1573406414666180321141555

Reference yield: 96.0%

[2-(2,6-dichloroanilino)phenyl]acetic acid (15307-86-5) + diazomethyl-trimethyl-silane (18107-18-1) → 2-[(2,6-dichlorophenyl)amino]phenylacetic acid methyl ester (15307-78-5)

Guidance literature:

In methanol; hexane; benzene; at 25 ℃; for 1h;

DOI:10.1021/jm010257n

upstream raw materials:

methanol

diclofenac sodium

[2-(2,6-dichloroanilino)phenyl]acetic acid

diazomethyl-trimethyl-silane

Downstream raw materials:

diclofenac

N-amino-2-{2'-[(2'',6''-dichlorophenyl)amino]phenyl}acetamide

3-[2-{5-(2-(2,6-dichlorophenylamino)benzyl)-1,3,4-oxadiazol-2-ylthio}acetyl]-2H-chromen-2-one

5-({2'-[(2'',6''-dichlorophenyl)amino]phenyl}methyl)-1,3,4-oxadiazole-2-thiol

Refernces

• 1、 Vargas, Franklin,Rivas,Zoltan,Fuentes,Padron,Diaz,Izzo. "Photodegradation and in vitro phototoxicity of aceclofenac". . p. 337 - 341. Retrieved 2007.
• 2、 Galisteo, Alberto,Jannus, Fatin,García-García, Amalia,Aheget, Houssam,Rojas, Sara,Lupia?ez, José A.,Rodríguez-Diéguez, Antonio,Reyes-Zurita, Fernando J.,Quílez Del Moral, José F.. "Diclofenac n-derivatives as therapeutic agents with anti-inflammatory and anti-cancer effect". . . Retrieved 2021/05/18.
• 3、 Bandyopadhyay, Parbati,Basu, Soumya,Chikate, Rajeev,Chikate, Tanmayee,Kaur, Jatinder. "Cu(II) complexes of hydrazones–NSAID conjugates: synthesis, characterization and anticancer activity". . p. 3186 - 3202. Retrieved 2020/12/22.