2-(butylsulfanyl)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Base Information

Chemical Name:2-(butylsulfanyl)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
CAS No.:5705-11-3
Molecular Formula:C14H16N2O
Molecular Weight:228.294
Hs Code.:
DSSTox Substance ID:DTXSID20365406
Wikidata:Q82150051

Synonyms:2-(butylsulfanyl)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one;5705-11-3;DTXSID20365406;STK832809;AKOS001656311;2-(butylthio)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Suppliers and Price of 2-(butylsulfanyl)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-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

Total 1 raw suppliers

Chemical Property of 2-(butylsulfanyl)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Chemical Property:

XLogP3:7.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:422.23918489
Heavy Atom Count:30
Complexity:715

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCSC1=NC2=C(C(=O)N1C3CCCCC3)C4(CCCC4)CC5=CC=CC=C52

Technology Process of 2-(butylsulfanyl)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

There total 2 articles about 2-(butylsulfanyl)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-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:

: 136953-50-9
butane-2,3-dione-mono-(4-methoxy-phenylhydrazone)

: 100-39-0
benzyl bromide

: 5705-11-3
N-benzyl-N-(p-methoxyphenyl)hydrazine

Guidance literature:: With hydrogenchloride; sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; hydrazine hydrate; Yield given. Multistep reaction; 1.) CH₂Cl₂, 2.) EtOH, 100 deg C;

Reference yield:

: 5705-11-3
N-benzyl-N-(p-methoxyphenyl)hydrazine

Guidance literature:: 4-Methoxyphenylhydrazin, Benzylchlorid;

Reference yield: 55.0%

: 762-21-0
acetylenedicarboxylic acid diethyl ester

: 5705-11-3
N-benzyl-N-(p-methoxyphenyl)hydrazine

: C₂₂H₂₃NO₅

Guidance literature:: acetylenedicarboxylic acid diethyl ester; N-benzyl-N-(p-methoxyphenyl)hydrazine; In toluene; at 100 ℃; for 24h;

With zinc(II) chloride; In toluene; at 100 ℃; for 24h; Further stages.;
DOI:10.1002/ejoc.200700310