2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-cyclohexylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Base Information

Chemical Name:2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-cyclohexylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
CAS No.:5705-13-5
Molecular Formula:C14H14N2O2
Molecular Weight:242.277
Hs Code.:
DSSTox Substance ID:DTXSID40364572
Wikidata:Q82148607

Synonyms:5705-13-5;C31H33ClN2O2S;DTXSID40364572;STK833128;AKOS005623184;2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-cyclohexylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one;332024-63-2

Suppliers and Price of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-cyclohexylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Supply Marketing:

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

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-cyclohexylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Chemical Property:

XLogP3:8.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:532.1951272
Heavy Atom Count:37
Complexity:941

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Cl

Technology Process of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-cyclohexylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

There total 5 articles about 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-cyclohexylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-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: 84.0%

: 17377-95-6
benzyl(4-methoxyphenyl)amine

: N-nitroso N-benzyl-N-(4-methoxy-2-nitroaniline)

: 5705-13-5
N-benzyl-N-(4-methoxyphenyl)nitrous amide

Guidance literature:: With tert.-butylnitrite; In acetonitrile; at 20 ℃; for 0.5h; Solvent; Temperature; regioselective reaction;
DOI:10.1021/acs.joc.8b02377

Reference yield:

: 17377-95-6
benzyl(4-methoxyphenyl)amine

: 5705-13-5
N-benzyl-N-(4-methoxyphenyl)nitrous amide

Guidance literature:: With tert.-butylnitrite; In acetonitrile; at 20 ℃; for 0.166667h; Solvent; regioselective reaction;
DOI:10.1021/acs.joc.8b02377

Reference yield:

: 104-94-9
4-methoxy-aniline

: 5705-13-5
N-benzyl-N-(4-methoxyphenyl)nitrous amide

Guidance literature:: Multi-step reaction with 2 steps

1.1: methanol / 12 h / 20 °C

1.2: 1 h / 0 - 20 °C

2.1: tert.-butylnitrite / acetonitrile / 0.17 h / 20 °C

With tert.-butylnitrite; In methanol; acetonitrile;
DOI:10.1021/acs.joc.8b02377