N,N'-Hexane-1,6-diylbis(hexahydro-2-oxo-1H-azepine-1-carboxamide)

Base Information

• Chemical Name: N,N'-Hexane-1,6-diylbis(hexahydro-2-oxo-1H-azepine-1-carboxamide)
• CAS No.: 5888-87-9
• Molecular Formula: C20H34 N4 O4
• Molecular Weight: 394.514
• European Community (EC) Number: 227-563-7
• DSSTox Substance ID: DTXSID9064051
• Nikkaji Number: J218.123A
• Wikidata: Q81991202
• Mol file: 5888-87-9.mol

Synonyms:5888-87-9;N,N'-Hexane-1,6-diylbis(hexahydro-2-oxo-1H-azepine-1-carboxamide);EINECS 227-563-7;1H-Azepin-1-carboxamide, N,N'-1,6-hexanediylbis(hexahydro-2-oxo-;1H-Azepine-1-carboxamide, N,N'-1,6-hexanediylbis[hexahydro-2-oxo-;EC 227-563-7;1H-Azepine-1-carboxamide, N,N'-1,6-hexanediylbis(hexahydro-2-oxo-;SCHEMBL1374699;DTXSID9064051;W-110065;N,N'-Hexamethylenebis(2-oxo-1-azacycloheptane-1-carboxamide)

Chemical Property of N,N'-Hexane-1,6-diylbis(hexahydro-2-oxo-1H-azepine-1-carboxamide)

Chemical Property:

• Vapor Pressure: 0Pa at 20℃
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 98.82000
• Density: 1.156g/cm³
• LogP: 3.42880
• Water Solubility.: 48.94mg/L at 20℃
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 394.25800558
• Heavy Atom Count: 28
• Complexity: 504

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)N(CC1)C(=O)NCCCCCCNC(=O)N2CCCCCC2=O

Technology Process of N,N'-Hexane-1,6-diylbis(hexahydro-2-oxo-1H-azepine-1-carboxamide)

There total 2 articles about N,N'-Hexane-1,6-diylbis(hexahydro-2-oxo-1H-azepine-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:

caprolactam (105-60-2,9012-16-2) + 1,6-Hexanediamine (124-09-4) + carbon monoxide (201230-82-2) → N,N'-bis-(2-oxo-hexahydro-azepine-1-carbonyl)-hexanediyldiamine (5888-87-9)

Guidance literature:

With dibutyltin dilaurate; p-benzoquinone; platinum(II) chloride; In acetonitrile; at 80 - 100 ℃; under 760.051 Torr;

Reference yield:

1,6-Hexanediamine (124-09-4) + 1-[(2-oxazepan-1-yl)carbonyl]azepan-2-one (19494-73-6) → N,N'-bis-(2-oxo-hexahydro-azepine-1-carbonyl)-hexanediyldiamine (5888-87-9)

Guidance literature:

at 100 ℃;

upstream raw materials:

1,6-Hexanediamine

1-[(2-oxazepan-1-yl)carbonyl]azepan-2-one

caprolactam

carbon monoxide

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