2-Amino-5-fluorobenzoic acid

Base Information

• Chemical Name: 2-Amino-5-fluorobenzoic acid
• CAS No.: 446-08-2
• Molecular Formula: C7H6FNO2
• Molecular Weight: 155.129
• Hs Code.: 29224999
• European Community (EC) Number: 207-159-7
• NSC Number: 513308
• UNII: 5VD9746EAR
• DSSTox Substance ID: DTXSID60196231
• Nikkaji Number: J196.138A
• Wikidata: Q27147609
• ChEMBL ID: CHEMBL4585642
• Mol file: 446-08-2.mol

Synonyms:2-amino-5-fluorobenzoic acid;5-FABA cpd

Chemical Property of 2-Amino-5-fluorobenzoic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.000154mmHg at 25°C
• Melting Point: 181-183 °C(lit.)
• Boiling Point: 318.2 °C at 760 mmHg
• PKA: 1.86±0.10(Predicted)
• Flash Point: 146.2 °C
• PSA: 63.32000
• Density: 1.43 g/cm³
• LogP: 1.68730
• Storage Temp.: Room temperature.
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 155.03825660
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98% ^*data from raw suppliers

5-Fluoroanthranilic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, T
• Hazard Codes: Xi,T
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)C(=O)O)N
• Uses: 2-Amino-5-fluorobenzoic acid is used for the counterselection of TRP1, a commonly used genetic marker in the yeast Saccharoyces Cerevisiae. An antimetabolite for the tryptophan pathway in yeast, and is toxic by virtue of its antimetabolite conversion to 5-Fluorotryptophan. It can be used for the selection of tryptophan auxotroophs. Used in the synthesis of styrylquinazolinones which are potential anticancer agents.

Technology Process of 2-Amino-5-fluorobenzoic acid

There total 12 articles about 2-Amino-5-fluorobenzoic 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: 98.0%

5-fluoro-2-nitrobenzoic acid (320-98-9) → 2-amino-5-fluorobenzoic acid (446-08-2)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; at 20 ℃; for 4h;

Reference yield: 97.2%

2-Bromo-5-fluorobenzoic acid (394-28-5) → 2-amino-5-fluorobenzoic acid (446-08-2)

Guidance literature:

Reference yield: 96.1%

→ 2-amino-5-fluorobenzoic acid (446-08-2)

Guidance literature:

upstream raw materials:

5-fluoro-1H-indole-2,3-dione

5-fluoro-2-nitrobenzoic acid

2-acetamido-5-fluorobenzoic acid

N-(4-fluorophenyl)-2-(hydroxyimino) acetamide

Downstream raw materials:

2-(carboxymethyl-amino)-5-fluoro-benzoic acid

5-fluoro-2-iodobenzoic acid

6-fluoro-2-methyl-4H-benzo[d][1,3]oxazin-4-one

5-fluoro-N-isopropylanthranilic acid