Aceclofenac Tert-Butyl Ester

Base Information

• Chemical Name: Aceclofenac Tert-Butyl Ester
• CAS No.: 139272-68-7
• Molecular Formula: C20H21Cl2NO4
• Molecular Weight: 410.297
• DSSTox Substance ID: DTXSID901140519
• Mol file: 139272-68-7.mol

Synonyms:139272-68-7;Aceclofenac Tert-Butyl Ester;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate;Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, 2-(1,1-dimethylethoxy)-2-oxoethyl ester;DTXSID901140519;2-(tert-Butoxy)-2-oxoethyl 2-(2-((2,6-dichlorophenyl)amino)phenyl)acetate;2-(tert-Butoxy)-2-oxoethyl2-(2-((2,6-dichlorophenyl)amino)phenyl)acetate;2-(1,1-Dimethylethoxy)-2-oxoethyl 2-[(2,6-dichlorophenyl)amino]benzeneacetate

Chemical Property of Aceclofenac Tert-Butyl Ester

Chemical Property:

• Boiling Point: 475.2±45.0 °C(Predicted)
• PKA: -2.84±0.50(Predicted)
• PSA: 64.63000
• Density: 1.289±0.06 g/cm3(Predicted)
• LogP: 5.23740
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 409.0847635
• Heavy Atom Count: 27
• Complexity: 499

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)COC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl

Technology Process of Aceclofenac Tert-Butyl Ester

There total 3 articles about Aceclofenac Tert-Butyl 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: 100.0%

bromoacetic acid tert-butyl ester (5292-43-3) + [2-(2,6-dichloroanilino)phenyl]acetic acid (15307-86-5) → 2-((2,6-dichlorophenyl)amino)phenylacetoxyacetic acid tert-butyl ester (139272-68-7)

Guidance literature:

With sodium hydrogencarbonate; In DMF (N,N-dimethyl-formamide); at 20 ℃;

Reference yield: 94.45%

bromoacetic acid tert-butyl ester (5292-43-3) + diclofenac sodium (15307-79-6) → 2-((2,6-dichlorophenyl)amino)phenylacetoxyacetic acid tert-butyl ester (139272-68-7)

Guidance literature:

With potassium iodide; In ethanol; at 61 - 65 ℃; for 3h; Temperature; Large scale;

Reference yield: 89.6%

tert-Butyl chloroacetate (107-59-5) + diclofenac sodium (15307-79-6) → 2-((2,6-dichlorophenyl)amino)phenylacetoxyacetic acid tert-butyl ester (139272-68-7)

Guidance literature:

With sodium iodide; In acetonitrile; at 77 - 78 ℃; for 2h;

upstream raw materials:

bromoacetic acid tert-butyl ester

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

diclofenac sodium

tert-Butyl chloroacetate

Downstream raw materials:

aceclofenac

Refernces

• 1、 -. "METHODS FOR PREPARING ACECLOFENAC AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME". Paragraph 0105; 0107; 0109. . Retrieved 2020/10/20.
• 2、 -. "Method for producing aceclofenac tert-butyl ester". Paragraph 0003; 0017-0020. . Retrieved 2019/10/17.