1-(Chloroacetyl)azepan-2-one

Base Information

Chemical Name:1-(Chloroacetyl)azepan-2-one
CAS No.:98303-85-6
Molecular Formula:C₈H₁₂ClNO₂
Molecular Weight:189.642
Hs Code.:2933790090
DSSTox Substance ID:DTXSID20549466
Wikidata:Q82428514
Mol file:98303-85-6.mol

Synonyms:1-(Chloroacetyl)azepan-2-one;98303-85-6;SCHEMBL10607516;DTXSID20549466

Suppliers and Price of 1-(Chloroacetyl)azepan-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 3 raw suppliers

Chemical Property of 1-(Chloroacetyl)azepan-2-one

Chemical Property:

PSA：37.38000
LogP:1.09230
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:189.0556563
Heavy Atom Count:12
Complexity:194

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(=O)N(CC1)C(=O)CCl

Technology Process of 1-(Chloroacetyl)azepan-2-one

There total 1 articles about 1-(Chloroacetyl)azepan-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: 85.0%

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

: 79-04-9
chloroacetyl chloride

: 98303-85-6
N-(2-chloroacetyl)-hexahydroazepin-2-one

Guidance literature:: In benzene; 1.) 5 deg C, 2.) room temp., 24 h;
DOI:10.1021/ja00306a048

Reference yield: 42.7%

: 941-69-5
N-phenyl-maleimide

: 98303-85-6
N-(2-chloroacetyl)-hexahydroazepin-2-one

: 106420-70-6
2-oxo-N-phenyl-2,7,8,9,10,11-hexahydrocyclohepta pyridine-4,5-dicarboximide

Guidance literature:: In N,N-dimethyl-formamide; at 90 ℃; for 2h;
DOI:10.1021/jo00384a039

Reference yield:

: 98303-85-6
N-(2-chloroacetyl)-hexahydroazepin-2-one

: (Z)-2-benzylidene-6,7,8,9-tetrahydro-2H-imidazo[1,2-a]azepin-3(5H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: sodium azide / dimethyl sulfoxide / 20 °C

2: triphenylphosphine / toluene / 2.5 h / 20 °C

3: piperidine / methanol / 20 °C

With piperidine; sodium azide; triphenylphosphine; In methanol; dimethyl sulfoxide; toluene; 2: |Aza-Wittig Reaction;
DOI:10.1016/j.tet.2015.05.073