Hexahydro-1H-azepine-1-carbothioic acid 2-(1-(2-pyridyl)ethyl)hydrazide N'''-oxide

Base Information

Chemical Name:Hexahydro-1H-azepine-1-carbothioic acid 2-(1-(2-pyridyl)ethyl)hydrazide N'''-oxide
CAS No.:87587-17-5
Molecular Formula:C₁₄H₂₂N₄OS
Molecular Weight:294.421
Hs Code.:
NSC Number:352383
ChEMBL ID:CHEMBL176917
Mol file:87587-17-5.mol

Synonyms:NSC 352383;BRN 5588816;1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide;Hexahydro-1H-azepine-1-carbothioic acid 2-(1-(2-pyridyl)ethyl)hydrazide N'''-oxide;87587-17-5;NSC352383;C14H22N4OS;CHEMBL176917;C14-H22-N4-O-S;NSC-352383;LS-22812

Suppliers and Price of Hexahydro-1H-azepine-1-carbothioic acid 2-(1-(2-pyridyl)ethyl)hydrazide N'''-oxide

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 Hexahydro-1H-azepine-1-carbothioic acid 2-(1-(2-pyridyl)ethyl)hydrazide N'''-oxide

Chemical Property:

Boiling Point:489oC at 760 mmHg
Flash Point:249.5oC
PSA：84.85000
Density:1.24g/cm3
LogP:3.15090
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:294.15143251
Heavy Atom Count:20
Complexity:308

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C1=CC=CC=[N+]1[O-])NNC(=S)N2CCCCCC2

Technology Process of Hexahydro-1H-azepine-1-carbothioic acid 2-(1-(2-pyridyl)ethyl)hydrazide N'''-oxide

There total 3 articles about Hexahydro-1H-azepine-1-carbothioic acid 2-(1-(2-pyridyl)ethyl)hydrazide N'''-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: 58.0%

: 111-49-9
hexamethylene imine

: 87587-21-1
methyl 3-<1-(2-pyridinyl 1-oxide)ethyl>hydrazinecarbodithioate

: 87587-17-5
Azepane-1-carbothioic acid N'-[1-(1-oxy-pyridin-2-yl)-ethyl]-hydrazide

Guidance literature:: In ethanol; for 4h; Heating;
DOI:10.1021/jm00367a019

Reference yield:

: 2457-50-3
2-acetylpyridine N-oxide

: 87587-17-5
Azepane-1-carbothioic acid N'-[1-(1-oxy-pyridin-2-yl)-ethyl]-hydrazide

Guidance literature:: Multi-step reaction with 3 steps

1: 78 percent / methanol / 0.5 h / 50 °C

2: 92 percent / NaBH₄ / ethanol / 1 h / Ambient temperature

3: 58 percent / ethanol / 4 h / Heating

With sodium tetrahydroborate; In methanol; ethanol;
DOI:10.1021/jm00367a019

Reference yield:

: 87587-00-6
methyl 3-<1-(2-pyridinyl 1-oxide)ethylidene>hydrazinecarbodithioate

: 87587-17-5
Azepane-1-carbothioic acid N'-[1-(1-oxy-pyridin-2-yl)-ethyl]-hydrazide

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / NaBH₄ / ethanol / 1 h / Ambient temperature

2: 58 percent / ethanol / 4 h / Heating

With sodium tetrahydroborate; In ethanol;
DOI:10.1021/jm00367a019