2H-Azepin-2-one, 3-allylhexahydro-

Base Information

Chemical Name:2H-Azepin-2-one, 3-allylhexahydro-
CAS No.:29559-34-0
Molecular Formula:C9H15 N O
Molecular Weight:153.224
Hs Code.:2933790090
DSSTox Substance ID:DTXSID60952051
Nikkaji Number:J100.072A
Mol file:29559-34-0.mol

Synonyms:2H-Azepin-2-one, 3-allylhexahydro-;29559-34-0;HEXAHYDRO-3-(2-PROPENYL)-2H-AZEPIN-2-ONE;2H-Azepin-2-one, hexahydro-3-(2-propenyl)-;allylcaprolactam;3-Allyl-2-azepanone #;SCHEMBL5182489;DTXSID60952051;MZSNVCNQHZGYOY-UHFFFAOYSA-N;6-(Prop-2-en-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-ol

Suppliers and Price of 2H-Azepin-2-one, 3-allylhexahydro-

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 2H-Azepin-2-one, 3-allylhexahydro-

Chemical Property:

Vapor Pressure:0.00155mmHg at 25°C
Boiling Point:295.1°C at 760 mmHg
Flash Point:170.6°C
PSA：32.59000
Density:0.923g/cm³
LogP:1.75470
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:153.115364102
Heavy Atom Count:11
Complexity:154

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CCC1CCCCNC1=O

Technology Process of 2H-Azepin-2-one, 3-allylhexahydro-

There total 5 articles about 2H-Azepin-2-one, 3-allylhexahydro- 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: 88.0%

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

: 106-95-6
allyl bromide

: 29559-34-0
hexahydro-3-(2-propen-1-yl)-2H-azepin-2-one

Guidance literature:: caprolactam; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.25h; Inert atmosphere;

With chloro-trimethyl-silane; In tetrahydrofuran; hexane; at 0 ℃; for 0.25h;

allyl bromide; Further stages;
DOI:10.1002/chem.201603120

Reference yield:

: 59239-07-5
2-(2'-propenyl)cyclohexanone oxime

: 29559-34-0
hexahydro-3-(2-propen-1-yl)-2H-azepin-2-one

: 165385-96-6
hexahydro-7-(2-propenyl)-1H-azepin-2-one

Guidance literature:: With sodium hydroxide; benzenesulfonyl chloride; In acetone; for 48h; Ambient temperature;
DOI:10.1021/jm9704715

Reference yield:

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

: 29559-34-0
hexahydro-3-(2-propen-1-yl)-2H-azepin-2-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: n-butyllithium / tetrahydrofuran; cyclohexane / 0.25 h / -78 °C

1.2: 0.25 h / -78 - 0 °C

2.1: lithium diisopropyl amide / tetrahydrofuran; cyclohexane / 0.5 h / -78 °C

2.2: 5 h / -78 - 20 °C / Inert atmosphere

3.1: ammonium chloride / tetrahydrofuran; cyclohexane

With n-butyllithium; ammonium chloride; lithium diisopropyl amide; In tetrahydrofuran; cyclohexane;
DOI:10.1021/acs.macromol.8b02148