Azepane-1-carboxamide

Base Information

• Chemical Name: Azepane-1-carboxamide
• CAS No.: 67651-47-2
• Molecular Formula: C₇H₁₄N₂O
• Molecular Weight: 142.201
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50395418
• Wikidata: Q82195502
• Mol file: 67651-47-2.mol

Synonyms:azepane-1-carboxamide;67651-47-2;1H-Azepine-1-carboxamide,hexahydro-(9CI);Azepane-1-carboxylic acid amide;N,N-hexamethyleneurea;SCHEMBL2778162;DTXSID50395418;AKOS000122470;EN300-05831;Z56912098

Chemical Property of Azepane-1-carboxamide

Chemical Property:

• Vapor Pressure: 0.0267mmHg at 25°C
• Refractive Index: 1.5
• Boiling Point: 246.7 °C at 760 mmHg
• Flash Point: 103 °C
• PSA: 47.32000
• Density: 1.063 g/cm³
• LogP: 1.39280
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 142.110613074
• Heavy Atom Count: 10
• Complexity: 117

Purity/Quality:

99% ^*data from raw suppliers

AZEPANE-1-CARBOXYLIC ACID AMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)C(=O)N

Technology Process of Azepane-1-carboxamide

There total 3 articles about Azepane-1-carboxamide 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:

hexamethylene imine (111-49-9) + urea (57-13-6) → N,N-hexamethyleneurea (67651-47-2)

Guidance literature:

With Iron(III) nitrate nonahydrate; In toluene; for 16h; Reflux;

DOI:10.1002/anie.201904662

Reference yield:

azepane-1-carbonyl chloride (27817-35-2) → N,N-hexamethyleneurea (67651-47-2)

Guidance literature:

With ammonium hydroxide;

Reference yield:

azepane hydrochloride (2088-78-0) → N,N-hexamethyleneurea (67651-47-2)

Guidance literature:

Multi-step reaction with 2 steps

1: phosgene; toluene

2: aqueous ammonia

With phosgene; ammonium hydroxide; toluene;

upstream raw materials:

azepane-1-carbonyl chloride

azepane hydrochloride

hexamethylene imine

urea

Refernces