2,3,4,5,5a,6,7,8-Octahydrocyclopenta[b]azepine 1-oxide

Base Information

Chemical Name:2,3,4,5,5a,6,7,8-Octahydrocyclopenta[b]azepine 1-oxide
CAS No.:608532-55-4
Molecular Formula:C9H15NO
Molecular Weight:153.2215
Hs Code.:
DSSTox Substance ID:DTXSID00449531
Nikkaji Number:J1.967.326J
Mol file:608532-55-4.mol

Synonyms:608532-55-4;2,3,4,5,5a,6,7,8-Octahydrocyclopenta[b]azepine 1-oxide;DTXSID00449531;Cyclopent[b]azepine,2,3,4,5,5a,6,7,8-octahydro-,1-oxide(9ci);1-Oxo-2,3,4,5,5a,6,7,8-octahydro-1lambda~5~-cyclopenta[b]azepine

Suppliers and Price of 2,3,4,5,5a,6,7,8-Octahydrocyclopenta[b]azepine 1-oxide

Supply Marketing:

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

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Chemical Property of 2,3,4,5,5a,6,7,8-Octahydrocyclopenta[b]azepine 1-oxide

Chemical Property:

PSA：28.75000
LogP:1.88050
XLogP3:0.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:153.115364102
Heavy Atom Count:11
Complexity:186

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC[N+](=C2CCCC2C1)[O-]

Technology Process of 2,3,4,5,5a,6,7,8-Octahydrocyclopenta[b]azepine 1-oxide

There total 2 articles about 2,3,4,5,5a,6,7,8-Octahydrocyclopenta[b]azepine 1-oxide 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%

: 608532-48-5
(+/-)-2-(4'-N,O-di(tert-butoxycarbonyl)hydroxylaminobutyl)cyclopentanone

: 608532-55-4
(+/-)-2,3,4,5,5a,6,7,8-octahydrocyclopent[b]azepine-N-oxide

Guidance literature:: (+/-)-2-(4'-N,O-di(tert-butoxycarbonyl)hydroxylaminobutyl)cyclopentanone; With 4 A molecular sieve; trifluoroacetic acid; In dichloromethane; for 24h;

With sodium hydrogencarbonate; In dichloromethane; for 2h;
DOI:10.1021/jo035004b

Reference yield:

: 93494-17-8
(+/-)-2-(4'-iodobutyl)cyclopentanone

: 608532-55-4
(+/-)-2,3,4,5,5a,6,7,8-octahydrocyclopent[b]azepine-N-oxide

Guidance literature:: Multi-step reaction with 2 steps

1.1: 78 percent / K₂CO₃ / dimethylformamide / 24 h / 20 °C

2.1: TFA; 4 Angstroem molecular sieves / CH₂Cl₂ / 24 h

2.2: 85 percent / NaHCO₃ / CH₂Cl₂ / 2 h

With 4 A molecular sieve; potassium carbonate; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jo035004b