3-[2-(4-(Methylthio)phenyl)-2-cyanoacetyl](6-methyl)pyridine

Base Information

Chemical Name:3-[2-(4-(Methylthio)phenyl)-2-cyanoacetyl](6-methyl)pyridine
CAS No.:321913-54-6
Molecular Formula:C₁₆H₁₄N₂OS
Molecular Weight:282.366
Hs Code.:
European Community (EC) Number:918-867-7
DSSTox Substance ID:DTXSID301170552

Synonyms:321913-54-6;SCHEMBL6934085;OBCGEALAAFPYBA-UHFFFAOYSA-N;DTXSID301170552;3-[2-(4-(methylthio)phenyl)-2-cyanoacetyl](6-methyl)pyridine;3-[2-(4-(methylthio)phenyl)-2-cyanoacetyl] (6-methyl)pyridine;3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile;6-Methyl-alpha-[4-(methylthio)phenyl]-beta-oxo-3-pyridinepropanenitrile

Suppliers and Price of 3-[2-(4-(Methylthio)phenyl)-2-cyanoacetyl](6-methyl)pyridine

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 3-[2-(4-(Methylthio)phenyl)-2-cyanoacetyl](6-methyl)pyridine

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:282.08268425
Heavy Atom Count:20
Complexity:381

Purity/Quality:: HPLC ≥ 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=NC=C(C=C1)C(=O)C(C#N)C2=CC=C(C=C2)SC

Technology Process of 3-[2-(4-(Methylthio)phenyl)-2-cyanoacetyl](6-methyl)pyridine

There total 2 articles about 3-[2-(4-(Methylthio)phenyl)-2-cyanoacetyl](6-methyl)pyridine 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:

: 21684-59-3
ethyl 6-methylnicotinate

: 38746-92-8
2-[4-(methylsulfanyl)phenyl]acetonitrile

: 321913-54-6
1-(6-methyl-3-pyridinyl)-2-cyano-2-[(4-methylthio)phenyl]ethanone

Guidance literature:: With hydrogenchloride; sodium methylate; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; toluene;

Reference yield:

: 5470-70-2
Methyl 6-methylnicotinate

: 38746-92-8
2-[4-(methylsulfanyl)phenyl]acetonitrile

: 321913-54-6
1-(6-methyl-3-pyridinyl)-2-cyano-2-[(4-methylthio)phenyl]ethanone

Guidance literature:: Methyl 6-methylnicotinate; 2-[4-(methylsulfanyl)phenyl]acetonitrile; In toluene; for 0.666667h; Reflux;

With sodium methylate; In toluene; Product distribution / selectivity; Reflux;

Reference yield:

: 321913-54-6
1-(6-methyl-3-pyridinyl)-2-cyano-2-[(4-methylthio)phenyl]ethanone

: 202409-33-4
etoricoxib

Guidance literature:: Multi-step reaction with 3 steps

1.1: hydrogenchloride / toluene; water; acetic acid / 20 °C / pH 6.9-7.1

2.1: potassium tert-butylate / isopropyl alcohol / 5 - 8 °C

3.1: sulfuric acid; sodium tungstate; Aliquat 336 / isopropyl alcohol; dichloromethane; water / 10 - 28 °C

3.2: 8 - 30 °C / pH 6.8 - 7

With hydrogenchloride; sodium tungstate; sulfuric acid; potassium tert-butylate; Aliquat 336; In dichloromethane; water; acetic acid; isopropyl alcohol; toluene;