[4-oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl](triphenylphosphoranylidene)acetonitrile

Base Information

Chemical Name:[4-oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl](triphenylphosphoranylidene)acetonitrile
CAS No.:6503-50-0
Molecular Formula:C24H17Cl3N3OPS
Molecular Weight:532.809
Hs Code.:
DSSTox Substance ID:DTXSID10411582

Synonyms:6503-50-0;ST50997323;DTXSID10411582;AKOS001021598;AKOS001025833;AKOS016875663;[4-oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl](triphenylphosphoranylidene)acetonitrile;Z56774441

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Supply Marketing:

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

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Chemical Property of [4-oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl](triphenylphosphoranylidene)acetonitrile

Chemical Property:

Density:1.41g/cm³
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:530.989553
Heavy Atom Count:33
Complexity:808

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)P(=C(C#N)C2=NC(=O)NC(S2)C(Cl)(Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of [4-oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl](triphenylphosphoranylidene)acetonitrile

There total 2 articles about [4-oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl](triphenylphosphoranylidene)acetonitrile 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:

: 6503-49-7
3',4',11',11'a-tetrahydro-2'H,6'H-spiro[[1,3]dioxolane-2,1'-pyrido[2,3-b]isoquinoline]

: 6503-50-0
3',4',7',10',11',11'a-hexahydro-2'H,6'H-spiro[[1,3]dioxolane-2,1'-pyrido[1,2-b]isoquinoline]

Guidance literature:: With ammonia; lithium; In diethyl ether;
DOI:10.1021/jo01344a012

Reference yield:

: 15912-12-6
3,4,11,11a-tetrahydro-2H,6H-pyrido[1,2-b]isoquinolin-1-one

: 6503-50-0
3',4',7',10',11',11'a-hexahydro-2'H,6'H-spiro[[1,3]dioxolane-2,1'-pyrido[1,2-b]isoquinoline]

Guidance literature:: Multi-step reaction with 2 steps

1: TsOH / benzene

2: liq. NH₃, Li / diethyl ether

With ammonia; lithium; toluene-4-sulfonic acid; In diethyl ether; benzene;
DOI:10.1021/jo01344a012