1-Octylazepan-2-one

Base Information

Chemical Name:1-Octylazepan-2-one
CAS No.:59227-88-2
Molecular Formula:C14H27NO
Molecular Weight:225.374
Hs Code.:
European Community (EC) Number:420-040-6
DSSTox Substance ID:DTXSID00373009
Nikkaji Number:J46.009E
Wikidata:Q63395422
Mol file:59227-88-2.mol

Synonyms:1-octylazepan-2-one;59227-88-2;n-octyl caprolactam;1-octylazepin-2-one;2H-Azepin-2-one, hexahydro-1-octyl-;N-OCTYLCAPROLACTAM;EC 420-040-6;1-octyl-azepan-2-one;1-octyl-azacycloheptan-2-one;SCHEMBL350987;1-n-Octylazacycloheptan-2-one;DTXSID00373009;VKAMZEDHHWTTNZ-UHFFFAOYSA-N;N-OCTYL-EPSILON-CAPROLACTAM;1-Octylhexahydro-1H-azepine-2-one;AKOS004908729;Q63395422

Suppliers and Price of 1-Octylazepan-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

Usbiological
CCR4
96Tests
$ 729.00

Biorbyt Ltd
CCRN4L
10 μg
$ 710.60

Biorbyt Ltd
CCR4
10 μg
$ 290.70

Total 10 raw suppliers

Chemical Property of 1-Octylazepan-2-one

Chemical Property:

Vapor Pressure:5.84E-05mmHg at 25°C
Refractive Index:1.463
Boiling Point:346.2°C at 760 mmHg
PKA:-0.42±0.20(Predicted)
Flash Point:142.6°C
PSA：20.31000
Density:0.907g/cm³
LogP:3.68740
Storage Temp.:-20°C
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:225.209264485
Heavy Atom Count:16
Complexity:191

Purity/Quality:

99.9% ^*data from raw suppliers

CCR4 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:C,N
Statements: 34-43-51/53
Safety Statements: 26-36/37/39-45-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCN1CCCCCC1=O

Technology Process of 1-Octylazepan-2-one

There total 6 articles about 1-Octylazepan-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: 96.0%

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

: 124-13-0
Octanal

: 59227-88-2
1-n-octylazacycloheptan-2-one

Guidance literature:: With hydrogen; sodium sulfate; palladium on activated charcoal; In ethyl acetate; at 100 ℃; for 4h; under 30002.4 Torr;
DOI:10.1016/S0040-4039(00)76894-8

Reference yield: 61.0%

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

: 111-83-1
1-bromo-octane

: 59227-88-2
1-n-octylazacycloheptan-2-one

Guidance literature:: With potassium hydroxide; In dimethyl sulfoxide; at 70 ℃; for 11h;

Reference yield:

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

: 124-13-0
Octanal

: 59227-88-2
1-n-octylazacycloheptan-2-one

: 111-87-5
octanol

Guidance literature:: With hydrogen; sodium sulfate; palladium on activated charcoal; In ethyl acetate; at 100 ℃; for 4h; under 30002.4 Torr; Product distribution; Mechanism; various reaction conditions;