3-amino-N-cyclohexylbenzamide

Base Information

• Chemical Name: 3-amino-N-cyclohexylbenzamide
• CAS No.: 77201-15-1
• Molecular Formula: C13H18N2O
• Molecular Weight: 218.299
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID40514075
• Wikidata: Q82374206
• Mol file: 77201-15-1.mol

Synonyms:3-amino-N-cyclohexylbenzamide;77201-15-1;3-Amino-N-cyclohexyl-benzamide;SCHEMBL7233871;DTXSID40514075;GKUCHYKDKUUYTR-UHFFFAOYSA-N;CDA20115;MFCD08721753;AKOS000111775;BS-29604;BB 0246460;CS-0205498;F21175

Chemical Property of 3-amino-N-cyclohexylbenzamide

Chemical Property:

• PSA: 55.12000
• LogP: 3.30340
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 218.141913202
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-N-cyclohexylbenzamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC(=O)C2=CC(=CC=C2)N

Technology Process of 3-amino-N-cyclohexylbenzamide

There total 3 articles about 3-amino-N-cyclohexylbenzamide 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:

N-cyclohexyl-3-nitrobenzamide (2702-32-1) → 3-amino-benzoic acid cyclohexylamide (77201-15-1)

Guidance literature:

With hydrogenchloride; tin; In tetrahydrofuran; at 50 ℃; for 1h;

DOI:10.1021/jm00153a018

Reference yield:

cyclohexylamine (108-91-8,157973-60-9) → 3-amino-benzoic acid cyclohexylamide (77201-15-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 0.08 h / Ambient temperature

2: Sn, 6 N HCl / tetrahydrofuran / 1 h / 50 °C

With hydrogenchloride; tin; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm00153a018

Reference yield:

m-nitrobenzoic acid chloride (121-90-4) → 3-amino-benzoic acid cyclohexylamide (77201-15-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 0.08 h / Ambient temperature

2: Sn, 6 N HCl / tetrahydrofuran / 1 h / 50 °C

With hydrogenchloride; tin; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm00153a018

upstream raw materials:

N-cyclohexyl-3-nitrobenzamide

cyclohexylamine

m-nitrobenzoic acid chloride

Downstream raw materials:

C₁₅H₂₃N₃O₃S

5-Acetyl-1-ethyl-2-oxo-2,3-dihydro-1H-indole-3-carboxylic acid (3-cyclohexylcarbamoyl-phenyl)-amide

Refernces