4-Ethylamino-3-nitro-benzoic acid ethyl ester

Base Information

• Chemical Name: 4-Ethylamino-3-nitro-benzoic acid ethyl ester
• CAS No.: 91182-00-2
• Molecular Formula: C11H14 N2 O4
• Molecular Weight: 238.243
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID10395611
• Mol file: 91182-00-2.mol

Synonyms:4-Ethylamino-3-nitro-benzoic acid ethyl ester;91182-00-2;ethyl 4-(ethylamino)-3-nitrobenzoate;Oprea1_043974;SCHEMBL22382354;DTXSID10395611;ethyl 4-ethylamino-3-nitrobenzoate;ethyl4-(ethylamino)-3-nitrobenzoate;MFCD03147222;AKOS000115446;SB80728;BS-24854;CS-0213190;EN300-02331;F79934;SR-01000036857;SR-01000036857-1;Z54848073

Chemical Property of 4-Ethylamino-3-nitro-benzoic acid ethyl ester

Chemical Property:

• Vapor Pressure: 4.18E-06mmHg at 25°C
• Boiling Point: 384.1°Cat760mmHg
• Flash Point: 186.1°C
• PSA: 84.15000
• Density: 1.243g/cm³
• LogP: 2.79950
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 238.09535693
• Heavy Atom Count: 17
• Complexity: 277

Purity/Quality:

99%min ^*data from raw suppliers

4-Ethylamino-3-nitro-benzoicacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]

Technology Process of 4-Ethylamino-3-nitro-benzoic acid ethyl ester

There total 7 articles about 4-Ethylamino-3-nitro-benzoic acid ethyl ester 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: 84.0%

ethyl 4-chloro-3-nitrobenzoate (16588-16-2) + ethylamine (75-04-7,85404-22-4) → ethyl 4-(ethylamino)-3-nitrobenzoate (91182-00-2)

Guidance literature:

In tetrahydrofuran; at 40 ℃; for 2h;

DOI:10.1515/HC.2001.7.5.455

Reference yield:

p-N,N-diethylaminobenzoic acid ethyl ester (10287-54-4) → N-ethyl-2,4,6-trinitroaniline (7449-27-6) + ethyl 4-(ethylamino)-3-nitrobenzoate (91182-00-2)

Guidance literature:

bei der Nitrierung;

Reference yield:

4-chloro-3-nitrobenzoate (96-99-1) → ethyl 4-(ethylamino)-3-nitrobenzoate (91182-00-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / HCl gas / Heating

2: 84 percent / tetrahydrofuran / 2 h / 40 °C

With hydrogenchloride; In tetrahydrofuran;

DOI:10.1515/HC.2001.7.5.455

upstream raw materials:

ethanol

4-(ethylamino)-3-nitrobenzoic acid

p-N,N-diethylaminobenzoic acid ethyl ester

ethyl 4-chloro-3-nitrobenzoate

Downstream raw materials:

ethyl 3-amino-4-(ethylamino)benzoate

4-(ethyl-nitro-amino)-3,5-dinitro-benzoic acid ethyl ester

Refernces

• 1、 Ates-Alagoz, Zeynep,Buyukbingol, Erdem. "Synthesis of some novel tetrahydronaphthalene benzimidazole derivatives". . p. 455 - 460. Retrieved 2007/10/03.