[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)thio]acetic acid

Base Information

Chemical Name:[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)thio]acetic acid
CAS No.:134616-73-2
Molecular Formula:C9H7N2O3S-
Molecular Weight:224.24
Hs Code.:2933399090
European Community (EC) Number:830-141-0
ChEMBL ID:CHEMBL1901450
Mol file:134616-73-2.mol

Synonyms:134616-73-2;[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)thio]acetic acid;2-[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid;(3-CYANO-4-METHYL-6-OXO-1,6-DIHYDROPYRIDIN-2-YL)THIO]ACETICACID;SMR000145176;MLS000551250;CHEMBL1901450;SCHEMBL23183510;HMS2153G16;HMS3319K20;STL323400;AKOS001081731;AKOS022127953;CS-0223853;EN300-11684;SR-01000510620;SR-01000510620-1;Z57046980;(3-Cyano-6-hydroxy-4-methyl-pyridin-2-ylsulfanyl)-acetic acid;[(3-cyano-6-hydroxy-4-methylpyridin-2-yl)sulfanyl]acetic acid;2-(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-ylthio)acetic acid;[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)thio]acetic acid, AldrichCPR

Suppliers and Price of [(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)thio]acetic acid

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

TRC
2-[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]aceticacid
25mg
$ 45.00

American Custom Chemicals Corporation
[(3-CYANO-4-METHYL-6-OXO-1,6-DIHYDROPYRIDIN-2-YL)THIO]ACETIC ACID 95.00%
5G
$ 1421.65

American Custom Chemicals Corporation
[(3-CYANO-4-METHYL-6-OXO-1,6-DIHYDROPYRIDIN-2-YL)THIO]ACETIC ACID 95.00%
2.5G
$ 1147.43

American Custom Chemicals Corporation
[(3-CYANO-4-METHYL-6-OXO-1,6-DIHYDROPYRIDIN-2-YL)THIO]ACETIC ACID 95.00%
1G
$ 808.89

Total 9 raw suppliers

Chemical Property of [(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)thio]acetic acid

Chemical Property:

Vapor Pressure:1.98E-09mmHg at 25°C
Melting Point:185-187 °C(Solv: ethanol (64-17-5))
Boiling Point:452°Cat760mmHg
PKA:3.83±0.10(Predicted)
Flash Point:227.2°C
PSA：122.34000
Density:1.47g/cm³
LogP:1.58218
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:224.02556330
Heavy Atom Count:15
Complexity:428

Purity/Quality:

99.0% ^*data from raw suppliers

2-[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]aceticacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=O)NC(=C1C#N)SCC(=O)O

Technology Process of [(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)thio]acetic acid

There total 2 articles about [(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)thio]acetic acid 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: 96.0%

: 93272-85-6
3-cyano-6-hydroxy-4-methyl-2(1H)-pyridinethione

: 79-11-8
chloroacetic acid

: 134616-73-2
2-[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid

Guidance literature:: With potassium hydroxide; In N,N-dimethyl-formamide; for 0.333333h; not above 15-20 deg C;

Reference yield:

: 93300-80-2
morpholine salt of 6-oxo-4-methyl-3-cyanopyridine-2<1H>thiol

: 79-11-8
chloroacetic acid

: 134616-73-2
2-[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid

Guidance literature:: In N,N-dimethyl-formamide;

Reference yield:

: C₂₁H₂₈N₄O₅S*ClH

: 134616-73-2
2-[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid

: (4S,7R)-7-((S)-1-(2-((3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)thio)acetyl)pyrrolidine-2-carboxamido)-N,N-dimethyl-6,10-dioxo-1,3,4,5,6,7,8,10-octahydrobenzo[j][1,8,5]oxathiaazacyclododecine-4-carboxamide

Guidance literature:: With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dimethyl sulfoxide; at 20 ℃; for 1h; Inert atmosphere;
DOI:10.1021/acs.jmedchem.1c01975