2H-Azepin-2-one, hexahydro-3-methyl-

Base Information

Chemical Name:2H-Azepin-2-one, hexahydro-3-methyl-
CAS No.:2073-32-7
Molecular Formula:C7H13NO
Molecular Weight:127.18
Hs Code.:
European Community (EC) Number:864-549-5
DSSTox Substance ID:DTXSID401347168
Nikkaji Number:J104.413C
Mol file:2073-32-7.mol

Synonyms:3-methylazepan-2-one;2H-Azepin-2-one, hexahydro-3-methyl-;2073-32-7;methylcaprolactam;3-Methylcaprolactam;methylcaprolactim;2-methylcaprolactam;2-Methyl-6-caprolactam;.alpha.-Methylcaprolactam;3-Methyl-2-azepanone #;SCHEMBL567388;DTXSID401347168;BCP32517;Hexahydro-3-methyl-2H-azepin-2-one;.alpha.-Methyl-.epsilon.-caprolactam;AKOS000278168;EN300-140589;A905447;Methylcaprolactam;Z1198181151

Suppliers and Price of 2H-Azepin-2-one, hexahydro-3-methyl-

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 10 raw suppliers

Chemical Property of 2H-Azepin-2-one, hexahydro-3-methyl-

Chemical Property:

Melting Point:97-98 °C
Boiling Point:126-128 °C(Press: 0.6 Torr)
PKA:16?+-.0.40(Predicted)
PSA：29.10000
Density:0.930±0.06 g/cm3(Predicted)
LogP:1.25140
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:127.099714038
Heavy Atom Count:9
Complexity:112

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1CCCCNC1=O
Uses 3-Methylazepan-2-one is used in the preparation of RSV inhibitors and also in the preparation of Nylon 6 fibers via caprolactam polymerization.

Technology Process of 2H-Azepin-2-one, hexahydro-3-methyl-

There total 8 articles about 2H-Azepin-2-one, hexahydro-3-methyl- 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:

: 1122-26-5
2-methylcyclohexanone oxime

: 2073-32-7,17377-65-0
3-methyl-ε-caprolactam

: 1985-48-4,17377-76-3,538369-20-9
7-Methylcaprolactam

Guidance literature:: With sulfuric acid; at 120 ℃; Title compound not separated from byproducts;
DOI:10.1021/jm00392a003

Reference yield:

: 583-60-8
2-Methylcyclohexanone

: 2073-32-7,17377-65-0
3-methyl-ε-caprolactam

: 1985-48-4,17377-76-3,538369-20-9
7-Methylcaprolactam

Guidance literature:: With ethyl O-(methanesulfonyl)acetohydroxamate; toluene-4-sulfonic acid; In water; acetonitrile; at 23 ℃; for 24h; Overall yield = 63 %; Overall yield = 40 mg; Inert atmosphere;
DOI:10.1021/acs.joc.8b01810

Reference yield:

: (1-Azido-2-methyl-cyclohexyloxy)-triisopropyl-silane

: 2073-32-7,17377-65-0
3-methyl-ε-caprolactam

: 1985-48-4,17377-76-3,538369-20-9
7-Methylcaprolactam

Guidance literature:: In cyclohexane; for 1h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Irradiation;
DOI:10.1021/jo00126a006