2-Amino-4-fluorobenzoic acid

Base Information

• Chemical Name: 2-Amino-4-fluorobenzoic acid
• CAS No.: 446-32-2
• Molecular Formula: C7H6FNO2
• Molecular Weight: 155.129
• Hs Code.: 29224999
• European Community (EC) Number: 207-163-9
• DSSTox Substance ID: DTXSID20196237
• Nikkaji Number: J196.141A
• Wikidata: Q27460185
• Mol file: 446-32-2.mol

Synonyms:2-Amino-4-fluorobenzoic acid;446-32-2;4-Fluoroanthranilic acid;2-Amino-4-fluorobenzoicacid;BENZOIC ACID, 2-AMINO-4-FLUORO-;MFCD00075553;EINECS 207-163-9;2-amino-4-fluoro-benzoic acid;FA0;4n8q;amino-4-fluorobenzoic acid;2-amino-4fluorobenzoic acid;2-amino-4-fluorobezoic acid;SCHEMBL25958;2-amino-4fluoro-benzoic acid;4-fluoro-2-aminobenzoic acid;2-amino 4-fluoro benzoic acid;2-amino-4-fluoro benzoic acid;DTXSID20196237;PC1071C;BCP09507;STL118122;2-Amino-4-fluorobenzoic acid, 97%;AKOS000121067;AC-2528;CS-W019810;PS-8867;SY001835;A1701;AM20060109;F0405;FT-0601247;EN300-21729;A-5520;Q27460185;Z106939542;InChI=1/C7H6FNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11

Chemical Property of 2-Amino-4-fluorobenzoic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.331mmHg at 25°C
• Melting Point: 192-196 °C(lit.)
• Refractive Index: 1.509
• Boiling Point: 318.1 °C at 760 mmHg
• PKA: 4.88±0.10(Predicted)
• Flash Point: 146.2 °C
• PSA: 63.32000
• Density: 1.43 g/cm³
• LogP: 1.68730
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.2
• 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:

99% ^*data from raw suppliers

4-Fluoroanthranilic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)N)C(=O)O
• Uses: 4-Fluoroanthranilic Acid (cas# 446-32-2) is a compound useful in organic synthesis.

Technology Process of 2-Amino-4-fluorobenzoic acid

There total 16 articles about 2-Amino-4-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: 100.0%

4-fluoro-2-nitrobenzoic acid (394-01-4) → 4-fluoroanthranilic acid (446-32-2)

Guidance literature:

palladium-carbon; In ethanol;

Reference yield: 62.0%

2-nitro-4-fluorotoluene (446-10-6) → 4-fluoroanthranilic acid (446-32-2)

Guidance literature:

With selenium; nitrobenzene; sodium hydroxide; In methanol; water; dimethyl sulfoxide; at 90 ℃; for 5h; Inert atmosphere;

DOI:10.1039/d0gc04407e

Reference yield:

methyl 4-fluoroanthranilate (2475-81-2) → 4-fluoroanthranilic acid (446-32-2)

Guidance literature:

methyl 4-fluoroanthranilate; With water; sodium carbonate; In isopropyl alcohol; at 80 ℃; for 2h; Heating / reflux;

With hydrogenchloride; In water; pH=4.5;

upstream raw materials:

6-fluoroisatin

4-fluoro-2-nitrobenzoic acid

2-acetamido-4-fluorobenzoic acid

2-nitro-4-fluoroaniline

Downstream raw materials:

(2-amino-4-fluorophenyl)methanol

2,2’-disulfanediylbis(4-fluorobenzoic acid)

4-fluoro-2-mercaptobenzyl alcohol

2-(5-chloro-2-thienylthio)-4-fluorobenzyl alcohol

Refernces

• 1、 Jiang, Xuefeng,Li, Yiming,Lin, Zhenyang,Wang, Yuhong,Yang, Tilong. "Selenium-catalyzed intramolecular atom- And redox-economical transformation ofo-nitrotoluenes into anthranilic acids". supporting information. p. 2986 - 2991. Retrieved 2021/05/05.
• 2、 Yao, Hong,Uras, Giuseppe,Zhang, Pengfei,Xu, Shengtao,Yin, Ying,Liu, Jie,Qin, Shuai,Li, Xinuo,Allen, Stephanie,Bai, Renren,Gong, Qi,Zhang, Haiyan,Zhu, Zheying,Xu, Jinyi. "Discovery of Novel Tacrine-Pyrimidone Hybrids as Potent Dual AChE/GSK-3 Inhibitors for the Treatment of Alzheimer's Disease". . p. 7483 - 7506. Retrieved 2021/06/28.