Hexanamide, 6-amino-N-phenyl-

Base Information

• Chemical Name: Hexanamide, 6-amino-N-phenyl-
• CAS No.: 115012-25-4
• Molecular Formula: C12H18N2O
• Molecular Weight: 206.288
• DSSTox Substance ID: DTXSID50460877
• Nikkaji Number: J1.946.954I
• Wikidata: Q82285041
• Mol file: 115012-25-4.mol

Synonyms:6-amino-N-phenylhexanamide;Hexanamide, 6-amino-N-phenyl-;115012-25-4;SCHEMBL4837664;6-amino-hexanoic acid phenylamide;DTXSID50460877;NJHPTRCDNRQRLW-UHFFFAOYSA-N;AKOS000196079;EN300-6488008

Chemical Property of Hexanamide, 6-amino-N-phenyl-

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 206.141913202
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)CCCCCN

Technology Process of Hexanamide, 6-amino-N-phenyl-

There total 15 articles about Hexanamide, 6-amino-N-phenyl- 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: 96.0%

N-[5-(phenylcarbamoyl)pentyl]carbamic acid benzyl ester (115012-32-3) → 6-aminohexanoic acid phenylamide (115012-25-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 7h; atmospheric pressure;

DOI:10.1021/jm049207j

Reference yield: 90.0%

6-(tert-butyloxycarbonylamino)-N-phenyl-hexanamide (329967-27-3) → 6-aminohexanoic acid phenylamide (115012-25-4)

Guidance literature:

6-(tert-butyloxycarbonylamino)-N-phenyl-hexanamide; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.75h;

With sodium hydrogencarbonate; In dichloromethane;

DOI:10.1002/anie.201101317

Reference yield:

6-(tert-butoxycarbonylamino)hexanoic acid (6404-29-1) → 6-aminohexanoic acid phenylamide (115012-25-4)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine; HATU / tetrahydrofuran / 20 °C / Inert atmosphere

2: trifluoroacetic acid / dichloromethane / 0.75 h / 20 °C

With N-ethyl-N,N-diisopropylamine; HATU; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1002/anie.201101317

upstream raw materials:

caprolactam

aniline

N-[5-(phenylcarbamoyl)pentyl]carbamic acid benzyl ester

6-aminohexanoic acid

Downstream raw materials:

[(5-phenylcarbamoylpentylcarbamoyl)methyl]carbamic acid tert-butyl ester

6-(bromoacetamido)-1-hexanoic acid anilide

2-[5-(phenylcarbamoyl)pentylcarbamoyl]thiazolidine-3-carboxylic acid tert-butyl ester

C₁₇H₂₇N₂O₅P