2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile

Base Information

Chemical Name:2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile
CAS No.:154384-02-8
Molecular Formula:C₁₂H₁₄N₂S
Molecular Weight:218.323
Hs Code.:
DSSTox Substance ID:DTXSID701153170
ChEMBL ID:CHEMBL1326705
Mol file:154384-02-8.mol

Synonyms:2-thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile;154384-02-8;MLS000112612;2-sulfanylidene-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile;SMR000108524;Oprea1_611238;CHEMBL1326705;BDBM34642;cid_1603379;DTXSID701153170;HMS2473E24;STK080704;AKOS000489608;AKOS003275023;AM-807/15304011;SR-01000493779;SR-01000493779-1;Z57203227;1,2,5,6,7,8,9,10-Octahydro-2-thioxocycloocta[b]pyridine-3-carbonitrile;2-mercapto-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile;2-thioxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile

Suppliers and Price of 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile

Supply Marketing:

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

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Chemical Property of 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:218.08776963
Heavy Atom Count:15
Complexity:395

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCCC2=C(CC1)C=C(C(=S)N2)C#N

Technology Process of 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile

There total 3 articles about 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile 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%

: 502-49-8
cycloactanone

: 7357-70-2
Cyanothioacetamide

: 154384-02-8
2-thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile

Guidance literature:: cycloactanone; With sodium; In diethyl ether; ethanol; at 20 ℃; for 48h; Inert atmosphere;

Cyanothioacetamide; With piperdinium acetate; In water; for 24h; Inert atmosphere; Reflux;

With acetic acid; In water; at 20 ℃; for 12h; Inert atmosphere;
DOI:10.1016/j.ejmech.2017.11.014