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

Base Information

Chemical Name:2-(benzylsulfanyl)-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
CAS No.:5728-01-8
Molecular Formula:C28H28Sn
Molecular Weight:483.24
Hs Code.:
DSSTox Substance ID:DTXSID30972786
Wikidata:Q82956606

Synonyms:2-(benzylsulfanyl)-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one;5728-01-8;2-benzylsulfanyl-3-(cyclopentylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one;Oprea1_266380;DTXSID30972786;PRNIHTWVCJJYTE-UHFFFAOYSA-N;STK011628;AKOS005376748;2-(benzylsulfanyl)-3-(cyclopentylmethyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'cyclopentane)-4(3H)-one;AJ-292/37142075

Suppliers and Price of 2-(benzylsulfanyl)-3-(cyclopentylmethyl)-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

Sigma-Aldrich
TETRAKIS(O-TOLYL)TIN AldrichCPR
1ea
$ 57.00

Total 1 raw suppliers

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

Chemical Property:

PSA：0.00000
LogP:4.29760
XLogP3:7.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:456.22353482
Heavy Atom Count:33
Complexity:798

Purity/Quality:

98%,99%, ^*data from raw suppliers

TETRAKIS(O-TOLYL)TIN AldrichCPR ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC6=CC=CC=C6

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

There total 7 articles about 2-(benzylsulfanyl)-3-(cyclopentylmethyl)-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: 82.0%

: 932-31-0
ortho-tolylmagnesium bromide

: 7646-78-8
tin(IV) chloride

: 5728-01-8
tetra-o-tolyltin

Guidance literature:: In tetrahydrofuran; addn. of a soln. of SnCl4 to a soln. of organic compound under cooling, heating for 12 h under reflux; addn. of HCl, reccrystn., elem. anal.;
DOI:10.1016/0022-328X(94)80074-X

Reference yield: 45.0%

: 95-49-8
2-methylchlorobenzene

: 7646-78-8
tin(IV) chloride

: 5728-01-8
tetra-o-tolyltin

Guidance literature:: With sodium; mercury; In Petroleum ether; boiling under reflux for 6-8 h;

Reference yield: 38.0%

: 6699-93-0
(2-methylphenyl)lithium

: 7646-78-8
tin(IV) chloride

: 5728-01-8
tetra-o-tolyltin

Guidance literature:: In diethyl ether; benzene; addn. of SnCl4 to o-CH3C6H4Li in diethyl ether, then boiling under reflux in benzene for 7 h;
DOI:10.1021/jo01034a023