Ethyl 4-(phenylsulfanyl)-3,4-dihydropyridine-1(2H)-carboxylate

Base Information

Chemical Name:Ethyl 4-(phenylsulfanyl)-3,4-dihydropyridine-1(2H)-carboxylate
CAS No.:89690-72-2
Molecular Formula:C14H17NO2S
Molecular Weight:263.36
Hs Code.:
DSSTox Substance ID:DTXSID80549861
Nikkaji Number:J329.571K

Synonyms:89690-72-2;DTXSID80549861;Ethyl 4-(phenylsulfanyl)-3,4-dihydropyridine-1(2H)-carboxylate

Suppliers and Price of Ethyl 4-(phenylsulfanyl)-3,4-dihydropyridine-1(2H)-carboxylate

Supply Marketing:

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

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Chemical Property of Ethyl 4-(phenylsulfanyl)-3,4-dihydropyridine-1(2H)-carboxylate

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:263.09799996
Heavy Atom Count:18
Complexity:300

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)N1CCC(C=C1)SC2=CC=CC=C2

Technology Process of Ethyl 4-(phenylsulfanyl)-3,4-dihydropyridine-1(2H)-carboxylate

There total 4 articles about Ethyl 4-(phenylsulfanyl)-3,4-dihydropyridine-1(2H)-carboxylate 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: 65.0%

: 89690-65-3
ethyl 3,4-dihydro-4-hydroxy-1(2H)-pyridinecarboxylate

: 108-98-5
thiophenol

: 89690-72-2
3,4-dihydro-4-(phenylthio)-1(2H)-pyridinecarboxylate

Guidance literature:: trimethylsilyl trifluoromethanesulfonate; In dichloromethane; at -78 ℃; for 3h;
DOI:10.1021/jo00183a044

Reference yield: 8.0%

: 4551-15-9
phenylthiotrimethylsilane

: 110961-43-8
N-Ethoxycarbonyl-6-methoxy-1,2,3,6-tetrahydropyridine

: 89690-72-2
3,4-dihydro-4-(phenylthio)-1(2H)-pyridinecarboxylate

: 110961-48-3
2-Methoxy-4-phenylsulfanyl-piperidine-1-carboxylic acid ethyl ester

Guidance literature:: With tetrabutylammonium perchlorate; lithium perchlorate; In dichloromethane; Ambient temperature; electrolysis;
DOI:10.1246/cl.1987.639

Reference yield:

: 57330-84-4
ethyl 3,4-dihydro-4-oxo-1(2H)-pyridinecarboxylate

: 89690-72-2
3,4-dihydro-4-(phenylthio)-1(2H)-pyridinecarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 93 percent / CeCl₃*6H₂O; NaBH₄ / methanol / 0.33 h / 0 °C

2: 65 percent / Me₃SiOTf / CH₂Cl₂ / 3 h / -78 °C

With sodium tetrahydroborate; cerium(III) chloride; trimethylsilyl trifluoromethanesulfonate; In methanol; dichloromethane;
DOI:10.1021/jo00183a044