Ethyl 2-amino-6-fluoro-3-nitrobenzoate

Base Information

• Chemical Name: Ethyl 2-amino-6-fluoro-3-nitrobenzoate
• CAS No.: 150368-37-9
• Molecular Formula: C9H9FN2O4
• Molecular Weight: 228.18
• Hs Code.: 2922499990
• European Community (EC) Number: 672-205-9
• DSSTox Substance ID: DTXSID60373368
• Wikidata: Q72437243
• Mol file: 150368-37-9.mol

Synonyms:150368-37-9;Ethyl 2-amino-6-fluoro-3-nitrobenzoate;2-Amino-6-fluoro-3-nitrobenzoic acid ethyl ester;Ethyl2-amino-6-fluoro-3-nitrobenzoate;2-amino-6-fluoro-3-nitro-benzoic acid ethyl ester;Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester;2-Amino-6-fluoro-3-nitrobenzoicacidethylEster;SCHEMBL940019;DTXSID60373368;PJSMHOIXOKZIMX-UHFFFAOYSA-N;BCP11420;MFCD00798156;AKOS015916999;AC-1468;GS-3657;SB33789;BP-10234;ethyl 2-amino-6-fluoro-3-nitrobenzoate;AM20030022;CS-0061554;FT-0630128;EN300-6509954;J-521304

Chemical Property of Ethyl 2-amino-6-fluoro-3-nitrobenzoate

Chemical Property:

• Vapor Pressure: 1.15E-05mmHg at 25°C
• Refractive Index: 1.572
• Boiling Point: 369.876 °C at 760 mmHg
• PKA: -3.94±0.25(Predicted)
• Flash Point: 177.495 °C
• PSA: 98.14000
• Density: 1.407 g/cm³
• LogP: 2.59720
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 228.05463493
• Heavy Atom Count: 16
• Complexity: 281

Purity/Quality:

99%, ^*data from raw suppliers

2-Amino-6-fluoro-3-nitrobenzoicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=CC(=C1N)[N+](=O)[O-])F

Technology Process of Ethyl 2-amino-6-fluoro-3-nitrobenzoate

There total 4 articles about Ethyl 2-amino-6-fluoro-3-nitrobenzoate 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: 81.0%

ethyl 2,6-difluoro-3-nitrobenzoate (150368-36-8) → ethyl 2-amino-6-fluoro-3-nitrobenzoate (150368-37-9)

Guidance literature:

With ammonium hydroxide; In ethanol; for 4h;

DOI:10.1021/jm00068a010

Reference yield: 81.0%

→ ethyl 2-amino-6-fluoro-3-nitrobenzoate (150368-37-9)

Guidance literature:

Reference yield:

2,6-Difluorobenzoic acid,ethyl ester (19064-14-3) → ethyl 2-amino-6-fluoro-3-nitrobenzoate (150368-37-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / nitric acid, conc. sulfuric acid / 0.5 h / Ambient temperature

2: 81 percent / 29percent aq. ammonium hydroxide / ethanol / 4 h

With ammonium hydroxide; sulfuric acid; nitric acid; In ethanol;

DOI:10.1021/jm00068a010

upstream raw materials:

ethyl 2,6-difluoro-3-nitrobenzoate

2,6-Difluorobenzoic acid,ethyl ester

2,6-difluorobenzoylchloride

Downstream raw materials:

2-amino-6-morpholin-4-yl-3-nitro-benzoic acid ethyl ester

2-amino-3-nitro-6-pyrrolidin-1-yl-benzoic acid ethyl ester

2-amino-6-benzylsulfanyl-3-nitro-benzoic acid ethyl ester

ethyl 2,3-diamino-6-fluorobenzoate

Refernces

• 1、 Kyoung Soon Kim,Qian,Bird,Dickinson,Moreland,Schaeffer,Waldron,Delaney,Weller,Miller. "Quinoxaline N-oxide containing potent angiotensin II receptor antagonists: Synthesis, biological properties, and structure-activity relationships". . p. 2335 - 2342. Retrieved 2007/10/02.