Methyl 2-(cyclohexylamino)-5-nitrobenzoate

Base Information

• Chemical Name: Methyl 2-(cyclohexylamino)-5-nitrobenzoate
• CAS No.: 83909-56-2
• Molecular Formula: C14H18N2O4
• Molecular Weight: 278.30372
• Hs Code.: 2922499990
• European Community (EC) Number: 800-312-4
• Mol file: 83909-56-2.mol

Synonyms:methyl 2-(cyclohexylamino)-5-nitrobenzoate;83909-56-2;MFCD23989316;AKOS015996915;BH-0714;SB81609;methyl2-(cyclohexylamino)-5-nitrobenzoate;CS-0456111

Chemical Property of Methyl 2-(cyclohexylamino)-5-nitrobenzoate

Chemical Property:

• Melting Point: 89 °C
• Boiling Point: 427.8±30.0 °C(Predicted)
• PKA: -0.73±0.20(Predicted)
• PSA: 84.15000
• Density: 1.258±0.06 g/cm3(Predicted)
• LogP: 3.72220
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 278.12665706
• Heavy Atom Count: 20
• Complexity: 350

Purity/Quality:

Methyl 2-(cyclohexylamino)-5-nitrobenzoate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-(cyclohexylamino)-5-nitrobenzoate

There total 1 articles about Methyl 2-(cyclohexylamino)-5-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: 93.0%

2-chloro-5-nitro-benzoic acid methyl ester (6307-82-0) + cyclohexylamine (108-91-8,157973-60-9) → 2-Cyclohexylamino-5-nitro-benzoic acid methyl ester (83909-56-2)

Guidance literature:

for 3h; Heating;

Reference yield: 69.0%

2-Cyclohexylamino-5-nitro-benzoic acid methyl ester (83909-56-2) → 5-Amino-2-cyclohexylamino-benzoic acid methyl ester; hydrochloride (83909-36-8)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol;

upstream raw materials:

2-chloro-5-nitro-benzoic acid methyl ester

cyclohexylamine

Downstream raw materials:

5-Amino-2-cyclohexylamino-benzoic acid methyl ester; hydrochloride

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