Ethyl 3-amino-2-nitrobenzoate

Base Information

• Chemical Name: Ethyl 3-amino-2-nitrobenzoate
• CAS No.: 193014-01-6
• Molecular Formula: C9H10 N2 O4
• Molecular Weight: 210.189
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID40592737
• Wikidata: Q82487003
• Mol file: 193014-01-6.mol

Synonyms:ethyl 3-amino-2-nitrobenzoate;193014-01-6;Benzoic acid, 3-amino-2-nitro-, ethyl ester (9CI);MFCD12911920;Ethyl 3-amino-2-nitro-benzoate;Benzoic acid, 3-amino-2-nitro-, ethyl ester;ethyl3-amino-2-nitrobenzoate;SCHEMBL3789796;AMY7604;DTXSID40592737;IJNYIIHVEXLJGI-UHFFFAOYSA-N;AKOS015919653;CS-W022668;SB78727;3-amino-2-nitrobenzoic acid ethyl ester;AS-18190;SY110991;DB-065805;A856767;J-520840

Chemical Property of Ethyl 3-amino-2-nitrobenzoate

Chemical Property:

• Melting Point: 48-49 °C
• Boiling Point: 364.6±22.0 °C(Predicted)
• PKA: -1.33±0.10(Predicted)
• PSA: 98.14000
• Density: 1.330±0.06 g/cm3(Predicted)
• LogP: 2.45810
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 210.06405680
• Heavy Atom Count: 15
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-Amino-2-nitrobenzoate ^*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=C1)N)[N+](=O)[O-]

Technology Process of Ethyl 3-amino-2-nitrobenzoate

There total 2 articles about Ethyl 3-amino-2-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:

3-acetylamino-2-nitro-benzoic acid (54002-28-7) → ethyl 3-amino-2-nitrobenzoate (193014-01-6)

Guidance literature:

With hydrogenchloride; ethanol;

DOI:10.1039/jr9380001034

Reference yield:

ethanol (64-17-5) + 3-acetylamino-2-nitro-benzoic acid (54002-28-7) → ethyl 3-amino-2-nitrobenzoate (193014-01-6)

Guidance literature:

With sulfuric acid; for 23h; Heating / reflux;

Reference yield: 88.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + ethyl 3-amino-2-nitrobenzoate (193014-01-6) → ethyl 2-nitro-3-(1H-pyrrol-1-yl)benzoate (1255927-15-1)

Guidance literature:

cis,trans-2,5-dimethoxytetrahydrofuran; ethyl 3-amino-2-nitrobenzoate; With acetic acid; at 120 ℃; for 1h;

With sodium hydrogencarbonate; In water; ethyl acetate;

upstream raw materials:

3-acetylamino-2-nitro-benzoic acid

ethanol

Downstream raw materials:

3-acetylamino-2-nitro-benzoic acid ethyl ester

ethyl 1-[3-(ethoxycarbonyl)-2-nitrophenyl]-1H-imidazole-5-carboxylate

ethyl 2-nitro-3-(1H-pyrrol-1-yl)benzoate

C₁₉H₁₃ClN₆