2-Amino-4,6-difluorobenzoic acid

Base Information

• Chemical Name: 2-Amino-4,6-difluorobenzoic acid
• CAS No.: 126674-77-9
• Molecular Formula: C7H5F2NO2
• Molecular Weight: 173.119
• Hs Code.: 2922499990
• European Community (EC) Number: 630-216-6
• DSSTox Substance ID: DTXSID50562623
• Wikidata: Q72435851
• Mol file: 126674-77-9.mol

Synonyms:2-amino-4,6-difluorobenzoic acid;126674-77-9;Benzoic acid, 2-amino-4,6-difluoro-;2-amino-4,6-difluoro-benzoic acid;MFCD03618449;SCHEMBL148335;2-amino-4,6-difluorobenzoicacid;2-amino4,6-difluorobenzoic acid;DTXSID50562623;TWSZCEBPTKBNBR-UHFFFAOYSA-N;2-amino-4,6-difluoro benzoic acid;AKOS009259850;AB15580;AM84130;CS-W003091;2-azanyl-4,6-bis(fluoranyl)benzoic acid;AC-24721;DS-12891;SY032789;2-Amino-4 pound not6-difluorobenzoic acid;2-amino-4,6-difluorobenzoic acid, AldrichCPR;EN300-197093;A805582;W-205255;Z362758720

Chemical Property of 2-Amino-4,6-difluorobenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.578
• Boiling Point: 305.752 °C at 760 mmHg
• PKA: 3.95±0.10(Predicted)
• Flash Point: 138.714 °C
• PSA: 63.32000
• Density: 1.537g/cm³
• LogP: 1.82640
• Sensitive.: Air Sensitive
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 173.02883473
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98% ^*data from raw suppliers

2-Amino-4,6-difluorobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1N)C(=O)O)F)F

Technology Process of 2-Amino-4,6-difluorobenzoic acid

There total 6 articles about 2-Amino-4,6-difluorobenzoic 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: 92.0%

4,6-difluoro-1H-indole-2,3-dione (126674-93-9) → 2-amino-4,6-difluorobenzoic acid (126674-77-9)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; at 0 - 20 ℃; for 5h;

Reference yield: 83.0%

N-(3,5-difluorophenyl)-2-hydroxyiminoacetamide (940054-61-5) → 2-amino-4,6-difluorobenzoic acid (126674-77-9)

Guidance literature:

N-(3,5-difluorophenyl)-2-hydroxyiminoacetamide; With sulfuric acid; at 50 - 100 ℃; for 2h;

With dihydrogen peroxide; sodium hydroxide; at 0 - 20 ℃;

With hydrogenchloride; In water; pH=1;

Reference yield:

2-amino-4,6-difluorobenzonitrile (190011-84-8) → 2-amino-4,6-difluorobenzoic acid (126674-77-9)

Guidance literature:

2-amino-4,6-difluorobenzonitrile; With sulfuric acid; water; at 100 ℃; for 15h;

With sodium hydroxide; In water; at 20 ℃;

With hydrogenchloride; In water;

upstream raw materials:

4,6-difluoro-1H-indole-2,3-dione

2-amino-4,6-difluorobenzonitrile

3,5-difluoroaniline

N-(3,5-difluorophenyl)-2-hydroxyiminoacetamide

Downstream raw materials:

5,7-difluoroquinazolin-4(3H)-one

methyl 2-amino-4,6-difluorobenzoate

1-[4-(7,9-difluoro-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenyl]ethanone hydrochloride

1-[4-(7,9-difluoro-6H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenyl]ethanone