2-[(2,6-difluorobenzoyl)amino]acetic Acid

Base Information

• Chemical Name: 2-[(2,6-difluorobenzoyl)amino]acetic Acid
• CAS No.: 66648-38-2
• Molecular Formula: C9H7F2NO3
• Molecular Weight: 215.156
• European Community (EC) Number: 870-986-2
• DSSTox Substance ID: DTXSID50383911
• Wikidata: Q82175730
• ChEMBL ID: CHEMBL459228
• Mol file: 66648-38-2.mol

Synonyms:66648-38-2;2-[(2,6-difluorobenzoyl)amino]acetic Acid;Glycine, N-(2,6-difluorobenzoyl)-;2-[(2,6-difluorophenyl)formamido]acetic acid;2,6-Difluorohippuric acid;Oprea1_716422;CHEMBL459228;DTXSID50383911;2-(2,6-Difluorobenzamido)aceticacid;MFCD00218151;2-(2,6-Difluorobenzamido)acetic acid;AKOS000150109;CCG-235771;MS-3050;CS-0234419;EN300-141712;Z85886800

Chemical Property of 2-[(2,6-difluorobenzoyl)amino]acetic Acid

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 215.03939941
• Heavy Atom Count: 15
• Complexity: 250

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)C(=O)NCC(=O)O)F

Technology Process of 2-[(2,6-difluorobenzoyl)amino]acetic Acid

There total 3 articles about 2-[(2,6-difluorobenzoyl)amino]acetic Acid 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:

glycine (56-40-6,18875-39-3,25718-94-9) + 2,6-difluorobenzoylchloride (18063-02-0) → 2,6-difluoro-hippuric acid (66648-38-2)

Guidance literature:

the presence of alkali;

Reference yield:

C11H11F2NO3 (219140-32-6) → 2,6-difluoro-hippuric acid (66648-38-2)

Guidance literature:

With water; sodium hydroxide; In 2-methyltetrahydrofuran; at 25 - 28 ℃; for 1h;

DOI:10.1021/op100032s

Reference yield:

2,6-difluorobenzoylchloride (18063-02-0) → 2,6-difluoro-hippuric acid (66648-38-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydrogencarbonate / 2-methyltetrahydrofuran; water / 0.5 h / Cooling

1.2: 3 h / 10 °C / Cooling

2.1: water; sodium hydroxide / 2-methyltetrahydrofuran / 1 h / 25 - 28 °C

With water; sodium hydrogencarbonate; sodium hydroxide; In 2-methyltetrahydrofuran; water; 1.2: Schotten-Baumann reaction;

DOI:10.1021/op100032s

upstream raw materials:

glycine

2,6-difluorobenzoylchloride

C₁₁H₁₁F₂NO₃

Downstream raw materials:

C₂₃H₁₇F₂N₃O₄

C₁₁H₉F₂NO₄

4-(4-nitrobenzylidene)-2-(2,6-difluorophenyl)-5(4H)-oxazolone

4-(4-methoxybenzylidene)-2-(2,6-difluorophenyl)-5(4H)-oxazolone