Ethyl 4-(cyclohexylamino)-3-nitrobenzoate

Base Information

• Chemical Name: Ethyl 4-(cyclohexylamino)-3-nitrobenzoate
• CAS No.: 87815-77-8
• Molecular Formula: C15H20N2O4
• Molecular Weight: 292.335
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID30415406
• Wikidata: Q82224324
• ChEMBL ID: CHEMBL3633557
• Mol file: 87815-77-8.mol

Synonyms:ethyl 4-(cyclohexylamino)-3-nitrobenzoate;87815-77-8;SCHEMBL2027705;CHEMBL3633557;DTXSID30415406;PALYDABJRIWMKF-UHFFFAOYSA-N;MFCD06016735;STK664731;AKOS003395331;SB82134;ethyl4-(cyclohexylamino)-3-nitrobenzoate;AS-42393;4-Cyclohexylamino-3-nitrobenzoic Acid Ethyl Ester;4-Cyclohexylamino-3-nitrobenzoic acid, ethyl ester;4-Cylcohexylamino-3-nitrobenzoic acid ehtyl ester;4-Cyclohexylamino-3-nitro-benzoic Acid Ethyl Ester

Chemical Property of Ethyl 4-(cyclohexylamino)-3-nitrobenzoate

Chemical Property:

• PSA: 84.15000
• LogP: 4.11230
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 292.14230712
• Heavy Atom Count: 21
• Complexity: 363

Purity/Quality:

98% ^*data from raw suppliers

Ethyl4-(cyclohexylamino)-3-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=C(C=C1)NC2CCCCC2)[N+](=O)[O-]

Technology Process of Ethyl 4-(cyclohexylamino)-3-nitrobenzoate

There total 7 articles about Ethyl 4-(cyclohexylamino)-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: 100.0%

ethyl 4-chloro-3-nitrobenzoate (16588-16-2) + cyclohexylamine (108-91-8,157973-60-9) → 4-cyclohexylamino-3-nitrobenzoic acid ethyl ester (87815-77-8)

Guidance literature:

In dimethyl sulfoxide; at 60 ℃; for 5h;

Reference yield: 94.0%

→ ethyl 4-chloro-3-nitrobenzoate (16588-16-2) + 4-cyclohexylamino-3-nitrobenzoic acid ethyl ester (87815-77-8)

Guidance literature:

Reference yield: 80.0%

→ 3-Amino-4-cyclohexylamino benzoic acid ethyl ester (347174-05-4) + 4-cyclohexylamino-3-nitrobenzoic acid ethyl ester (87815-77-8)

Guidance literature:

upstream raw materials:

ethyl 4-chloro-3-nitrobenzoate

cyclohexylamine

ethyl 4-fluoro-3-nitrobenzoate

3-nitro-4-fluorobenzoic acid

Downstream raw materials:

3-Amino-4-cyclohexylamino benzoic acid ethyl ester

ethyl 1-cyclohexyl-2-(4-hydroxyphenyl)-1H-benzimidazole-5-carboxylate

ethyl 1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)-1H-benzimidazole-5-carboxylate

2-[4-(Benzyloxy)phenyl]-1-cyclohexyl-1H-benzimidazole-5-carboxylic acid