Methyl 5-amino-2-fluorobenzoate

Base Information

• Chemical Name: Methyl 5-amino-2-fluorobenzoate
• CAS No.: 56741-34-5
• Molecular Formula: C8H8FNO2
• Molecular Weight: 169.155
• Hs Code.: 2922499990
• European Community (EC) Number: 825-094-8
• DSSTox Substance ID: DTXSID60575906
• Nikkaji Number: J315.158A
• Wikidata: Q82465351
• Mol file: 56741-34-5.mol

Synonyms:methyl 5-amino-2-fluorobenzoate;56741-34-5;5-Amino-2-fluorobenzoic acid methyl ester;Methyl 5-amino-2-fluorobenzenecarboxylate;MFCD09037918;Methyl 5-amino-2-fluoro-benzoate;AMOXICILLINSODIUM;Benzoic acid, 5-amino-2-fluoro-, methyl ester;SCHEMBL193418;methyl-5-amino-2-fluorobenzoate;DTXSID60575906;ILVPFTMKCHREDJ-UHFFFAOYSA-N;5-amino-2-fluoro-3-methyl-benzoate;AKOS000118001;BD-0725;SY013943;5-Amino-2-fluoro-benzoic acid methyl ester;CS-0035913;EN300-27642;A831158;J-522432;Z235344881

Chemical Property of Methyl 5-amino-2-fluorobenzoate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 84-86°C
• Refractive Index: 1.544
• Boiling Point: 302.319 °C at 760 mmHg
• PKA: 3.51±0.10(Predicted)
• Flash Point: 136.638 °C
• PSA: 52.32000
• Density: 1.264 g/cm³
• LogP: 1.77570
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 169.05390666
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 5-amino-2-fluorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 5-amino-2-fluorobenzoate

There total 10 articles about Methyl 5-amino-2-fluorobenzoate 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%

methyl 2-fluoro-5-nitro-benzoate (2965-22-2) → methyl 5-amino-2-fluorobenzoate (56741-34-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol;

DOI:10.1016/j.ejmech.2020.112963

Reference yield: 99.0%

→ methyl 5-amino-2-fluorobenzoate (56741-34-5)

Guidance literature:

With palladium on activated charcoal; hydrogen; In ethanol; at 20 ℃;

Reference yield: 96.0%

5-amino-2-fluorobenzoic acid (56741-33-4) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 5-amino-2-fluorobenzoate (56741-34-5)

Guidance literature:

5-amino-2-fluorobenzoic acid; diazomethyl-trimethyl-silane; With methanol; In hexane; dichloromethane; at 0 - 20 ℃; for 0.333333h;

With acetic acid; In methanol; hexane; dichloromethane;

upstream raw materials:

methyl 2-fluoro-5-nitro-benzoate

methyl 3-azido-6-fluorobenzoate

diethylamine

toluene

Downstream raw materials:

(5-amino-2-fluoro-phenyl)-methanol

methyl 3-azido-6-fluorobenzoate

methyl 2-bromo-3-(3-methoxycarbonyl-4-fluorophenyl)propionate

5-[(3-bromo-benzylidene)-amino]-2-fluoro-benzoic acid methyl ester

Refernces

• 1、 -. "FUSED BICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE". Paragraph 00205. . Retrieved 2019/03/05.
• 2、 -. "LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS". Paragraph 0161; 0162; 0163; 0164; 0165. . Retrieved 2015/12/30.