1-Benzoylazepan-2-one

Base Information

Chemical Name:1-Benzoylazepan-2-one
CAS No.:6248-28-8
Molecular Formula:C13H15 N O2
Molecular Weight:217.268
Hs Code.:
NSC Number:12947
UNII:5V9F5A2YCF
DSSTox Substance ID:DTXSID70211520
Nikkaji Number:J769.224B
ChEMBL ID:CHEMBL4961209
Mol file:6248-28-8.mol

Synonyms:1-Benzoylazepan-2-one;6248-28-8;N-benzoylcaprolactam;NSC12947;5V9F5A2YCF;MLS002638291;NSC 12947;NSC-12947;n-benzoyl-caprolactam;1-benzoyl-azepan-2-one;UNII-5V9F5A2YCF;N-Benzoyl-epsilon-caprolactam;SCHEMBL151854;CHEMBL4961209;DTXSID70211520;HMS1725H03;HMS3086J21;1-Benzoylhexahydro-2H-azepin-2-one;1-Benzoylhexahydro-2H-azepine-2-one;AKOS002528187;2H-Azepin-2-one, 1-benzoylhexahydro-;SMR001547780;Z56948364

Suppliers and Price of 1-Benzoylazepan-2-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 1-Benzoylazepan-2-one

Chemical Property:

Vapor Pressure:8.58E-06mmHg at 25°C
Boiling Point:374.1°C at 760 mmHg
Flash Point:168.7°C
PSA：37.38000
Density:1.15g/cm³
LogP:2.16730
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:217.110278721
Heavy Atom Count:16
Complexity:269

Purity/Quality:: 99% ^*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)C2=CC=CC=C2

Technology Process of 1-Benzoylazepan-2-one

There total 14 articles about 1-Benzoylazepan-2-one 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: 99.0%

: 105-60-2,9012-16-2
caprolactam

: 501-53-1,94274-21-2
benzyl chloroformate

: 6248-28-8
N-Benzoylcaprolactam

Guidance literature:: caprolactam; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

benzyl chloroformate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h;
DOI:10.1021/ol3020732

Reference yield: 95.0%

: 98-88-4
benzoyl chloride

: 7087-68-5
N-ethyl-N,N-diisopropylamine

: 6248-28-8
N-Benzoylcaprolactam

Guidance literature:: In water;

Reference yield: 95.0%

: 105-60-2,9012-16-2
caprolactam

: 100-51-6,185532-71-2
benzyl alcohol

: 6248-28-8
N-Benzoylcaprolactam

Guidance literature:: With N,N,N,N,-tetramethylethylenediamine; 9-azanoradamantane N-oxyl; oxygen; copper(l) chloride; In tetrahydrofuran; at 23 ℃; for 1h; Molecular sieve;
DOI:10.1039/c8sc01410h