Methyl (2,6-difluoroanilino)(oxo)acetate

Base Information

• Chemical Name: Methyl (2,6-difluoroanilino)(oxo)acetate
• CAS No.: 98500-60-8
• Molecular Formula: C9H7F2NO3
• Molecular Weight: 215.156
• DSSTox Substance ID: DTXSID20603597
• Wikidata: Q82501053

Synonyms:98500-60-8;Methyl (2,6-difluoroanilino)(oxo)acetate;SCHEMBL10759917;DTXSID20603597

Chemical Property of Methyl (2,6-difluoroanilino)(oxo)acetate

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 215.03939941
• Heavy Atom Count: 15
• Complexity: 250

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=O)NC1=C(C=CC=C1F)F

Technology Process of Methyl (2,6-difluoroanilino)(oxo)acetate

There total 1 articles about Methyl (2,6-difluoroanilino)(oxo)acetate 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:

monomethyl oxalyl chloride (5781-53-3) + 2,6-difluoroaniline (5509-65-9) → N-(2,6-difluoro-phenyl)-oxalamic acid methyl ester (98500-60-8)

Guidance literature:

With triethylamine; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2003.12.106

Reference yield:

N-(2,6-difluoro-phenyl)-oxalamic acid methyl ester (98500-60-8) → 2-((2,6-difluorophenyl)amino)-2-oxoacetic acid (1018295-42-5)

Guidance literature:

With lithium hydroxide; In 1,4-dioxane; at 20 ℃;

DOI:10.1016/j.bmcl.2003.12.106

Reference yield:

benzylamine (100-46-9) + N-(2,6-difluoro-phenyl)-oxalamic acid methyl ester (98500-60-8) → C15H12F2N2O2

Guidance literature:

In tetrahydrofuran; at 70 ℃; for 18h;

DOI:10.1021/acs.orglett.7b01403

upstream raw materials:

monomethyl oxalyl chloride

2,6-difluoroaniline

Downstream raw materials:

2-((2,6-difluorophenyl)amino)-2-oxoacetic acid

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