2-Amino-3,4,5,6-tetrafluorobenzoic acid

Base Information

• Chemical Name: 2-Amino-3,4,5,6-tetrafluorobenzoic acid
• CAS No.: 1765-42-0
• Molecular Formula: C7H3 F4 N O2
• Molecular Weight: 209.1
• Hs Code.: 2922499990
• European Community (EC) Number: 624-533-9
• DSSTox Substance ID: DTXSID50350820
• Nikkaji Number: J1.417.535K
• Wikidata: Q82126921
• Mol file: 1765-42-0.mol

Synonyms:2-Amino-3,4,5,6-tetrafluorobenzoic acid;1765-42-0;Tetrafluoroanthranilic acid;6-Amino-2,3,4,5-tetrafluorobenzoic acid;SCHEMBL6036813;DTXSID50350820;3,4,5,6-Tetrafluoroanthanilic acid;MFCD00077592;3,4,5,6-Tetrafluoroanthranilic acid;AKOS015889438;SB78125;AS-65459;CS-0204433;FT-0633826;2-Amino-3,4,5,6-tetrafluorobenzoic acid, 98%

Chemical Property of 2-Amino-3,4,5,6-tetrafluorobenzoic acid

Chemical Property:

• Vapor Pressure: 0.000818mmHg at 25°C
• Melting Point: 141-143 °C(lit.)
• Refractive Index: 1.529
• Boiling Point: 292.8°Cat760mmHg
• PKA: 3.27±0.10(Predicted)
• Flash Point: 130.9°C
• PSA: 63.32000
• Density: 1.726g/cm³
• LogP: 2.10460
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 209.00999099
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

99%, ^*data from raw suppliers

2-Amino-3,4,5,6-tetrafluorobenzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)F)F)N)C(=O)O

Technology Process of 2-Amino-3,4,5,6-tetrafluorobenzoic acid

There total 15 articles about 2-Amino-3,4,5,6-tetrafluorobenzoic 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: 99.0%

2,3,4,5-tetrafluoro-6-nitrobenzoic acid (16583-08-7) → 2-amino-3,4,5,6-tetrafluorobenzoic acid (1765-42-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; for 6h; under 2280.15 Torr;

DOI:10.1007/s13738-017-1091-3

Reference yield: 74.0%

4,5,6,7-tetrafluorophthalimide (652-11-9) → 2-amino-3,4,5,6-tetrafluorobenzoic acid (1765-42-0)

Guidance literature:

With bromine; potassium hydroxide;

DOI:10.1016/j.dyepig.2020.108966

Reference yield:

2,3,4,5-tetrafluoro-1-nitrobenzene (5580-79-0) → 2-amino-3,4,5,6-tetrafluorobenzoic acid (1765-42-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Sn, aq. HCl

2: (i) nBuLi, hexane, THF, (ii) /BRN= 1900390/

With hydrogenchloride; tin;

DOI:10.1016/S0040-4020(01)92570-0

upstream raw materials:

carbon dioxide

2,3,4,5-tetrafluoroaniline

2-NH₂C₆F₄C(O)NH₂

1,2,3,4-tetrafluorobenzene

Downstream raw materials:

1-Bromo-2-[2-(2-bromo-ethoxy)-ethoxy]-3,4,5,6-tetrafluoro-benzene

1-(2-Ethoxy-ethoxy)-2,3,4,5-tetrafluoro-benzene

1-Ethoxy-2-iodo-tetrafluorbenzol

2,3,4,5-tetrafluorophenetole

Refernces

• 1、 -. "Organic electroluminescent materials and devices". Paragraph 0366-0367. . Retrieved 2021/01/12.
• 2、 Klimovich, Irina V.,Zhilenkov, Alexander V.,Кuznetsova, Lidiya I.,Frolova, Lubov A.,Yamilova, Olga R.,Troyanov, Sergey I.,Lyssenko, Konstantin A.,Troshin, Pavel A.. "Novel functionalized indigo derivatives for organic electronics". . . Retrieved 2020/11/24.