Ethyl 2-Amino-4-fluorobenzoate

Base Information

• Chemical Name: Ethyl 2-Amino-4-fluorobenzoate
• CAS No.: 117324-05-7
• Molecular Formula: C9H10FNO2
• Molecular Weight: 183.182
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID70557773
• Wikidata: Q82439782
• Mol file: 117324-05-7.mol

Synonyms:Ethyl 2-Amino-4-fluorobenzoate;117324-05-7;Benzoic acid, 2-amino-4-fluoro-, ethyl ester;Benzoic acid,2-amino-4-fluoro-, ethyl ester;2-Amino-4-fluoro-benzoic Acid Ethyl Ester;ethyl 4-fluoroanthranilate;ethyl-2-amino-4-fluorobenzoate;SCHEMBL1548072;DTXSID70557773;OTJQWSLMOCZLGQ-UHFFFAOYSA-N;MFCD08275015;AKOS009165675;AB44538;AM83208;CS-W022651;TS-02549;EN300-86034;A893391

Chemical Property of Ethyl 2-Amino-4-fluorobenzoate

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Refractive Index: 1.536
• Boiling Point: 271.243 °C at 760 mmHg
• PKA: 1.46±0.10(Predicted)
• Flash Point: 117.844 °C
• PSA: 52.32000
• Density: 1.219 g/cm³
• LogP: 2.16580
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 183.06955672
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-Amino-4-fluorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-Amino-4-fluorobenzoate

There total 3 articles about Ethyl 2-Amino-4-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: 94.0%

ethanol (64-17-5) + 4-fluoroanthranilic acid (446-32-2) → 2-amino-4-fluoro-benzoic acid ethyl ester (117324-05-7)

Guidance literature:

With thionyl chloride; for 96h; Reflux;

Reference yield: 94.0%

4-fluoroanthranilic acid (446-32-2) → 2-amino-4-fluoro-benzoic acid ethyl ester (117324-05-7)

Guidance literature:

With thionyl chloride; In ethanol;

Reference yield:

2-acetamido-4-fluorobenzoic acid (394-27-4) → ethyl 2-amino-4-bromobenzoate (117323-99-6) + 2-amino-4-fluoro-benzoic acid ethyl ester (117324-05-7)

Guidance literature:

upstream raw materials:

ethanol

4-fluoroanthranilic acid

2-acetamido-4-fluorobenzoic acid

Downstream raw materials:

7-fluoro-3H-quinazolin-4-one

C₁₆H₁₃ClFNO₃

C₁₇H₁₆FNO₃

2-(2-amino-4-fluorophenyl)propan-2-ol