N-(3-aminophenyl)hexanamide

Base Information

• Chemical Name: N-(3-aminophenyl)hexanamide
• CAS No.: 231954-22-6
• Molecular Formula: C12H18N2O
• Molecular Weight: 206.28412
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID10444012
• Nikkaji Number: J29.388A
• Mol file: 231954-22-6.mol

Synonyms:N-(3-aminophenyl)hexanamide;231954-22-6;m-Aminohexananilide;DTXSID10444012;STL253136;AKOS000101016;CS-0333530

Chemical Property of N-(3-aminophenyl)hexanamide

Chemical Property:

• PSA: 55.12000
• LogP: 3.44180
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 206.141913202
• Heavy Atom Count: 15
• Complexity: 194

Purity/Quality:

98%min ^*data from raw suppliers

N-(3-aminophenyl)hexanamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)NC1=CC=CC(=C1)N

Technology Process of N-(3-aminophenyl)hexanamide

There total 3 articles about N-(3-aminophenyl)hexanamide 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: 89.0%

N-(3-nitrophenyl)hexanoamide (72298-75-0) → N-(3-aminophenyl)hexanoamide (231954-22-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1021/jo010250d

Reference yield:

Hexanoyl chloride (142-61-0) → N-(3-aminophenyl)hexanoamide (231954-22-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / Et₃N / CH₂Cl₂ / 0 - 5 °C

2: 89 percent / H₂ / Pd/C / methanol

With hydrogen; triethylamine; palladium on activated charcoal; In methanol; dichloromethane;

DOI:10.1021/jo010250d

Reference yield:

3-nitro-aniline (99-09-2) → N-(3-aminophenyl)hexanoamide (231954-22-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / Et₃N / CH₂Cl₂ / 0 - 5 °C

2: 89 percent / H₂ / Pd/C / methanol

With hydrogen; triethylamine; palladium on activated charcoal; In methanol; dichloromethane;

DOI:10.1021/jo010250d

upstream raw materials:

N-(3-nitrophenyl)hexanoamide

Hexanoyl chloride

3-nitro-aniline

Downstream raw materials:

N-[3-(hydroxycarbonylaminomethylcarbonylamino)phenyl]hexanoamide

N-[3-(ethoxycarbonylaminomethylcarbonylamino)phenyl]hexanoamide

Hexanoic acid [3-(3-methyl-ureido)-phenyl]-amide

Refernces