54585-47-6

Basic information

• Product Name: 3-CYANO-4,6-DIMETHYL-2-MERCAPTOPYRIDINE
• Synonyms: 1,2-dihydro-4,6-dimethyl-2-thioxo-3-pyridinecarbonitril;1,2-dihydro-4,6-dimethyl-2-thioxo-3-pyridinecarbonitrile;Pyridine-3-carbonitrile, 1,2-dihydro-4,6-dimethyl-2-thioxo-;TIMTEC-BB SBB005712;AURORA 5322;BUTTPARK 59\40-62;2-MERCAPTO-4,6-DIMETHYL-NICOTINONITRILE;2-MERCAPTO-4,6-DIMETHYLPYRIDINE-3-CARBONITRILE
• CAS NO: 54585-47-6
• Molecular Formula: C₈H₈N₂S
• Molecular Weight: 164.23
• Product Categories: Fine Chemicals
• Mol File: 54585-47-6.mol
• Article Data: 15

Chemical Properties

• Melting Point: 274°C (dec.)
• Boiling Point: 250℃
• Flash Point: 105℃
• Appearance: /
• Density: 1.21
• Vapor Pressure: 0.0225mmHg at 25°C
• Refractive Index: 1.608
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 7.82±0.70(Predicted)
• BRN: 388803
• CAS DataBase Reference: 3-CYANO-4,6-DIMETHYL-2-MERCAPTOPYRIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CYANO-4,6-DIMETHYL-2-MERCAPTOPYRIDINE(54585-47-6)
• EPA Substance Registry System: 3-CYANO-4,6-DIMETHYL-2-MERCAPTOPYRIDINE(54585-47-6)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 3276
• RTECS: US4201380
• HazardClass: IRRITANT
• PackingGroup: III
• Hazardous Substances Data: 54585-47-6(Hazardous Substances Data)

Usage

General Description

3-CYANO-4,6-DIMETHYL-2-MERCAPTOPYRIDINE is a chemical compound with the molecular formula C8H8N2S. It is a yellow solid with a molecular weight of 164.23 g/mol. 3-CYANO-4,6-DIMETHYL-2-MERCAPTOPYRIDINE is a pyridine derivative with a cyano group and two methyl and one mercapto group, giving it distinct chemical properties. It is used in various industrial applications as a chemical intermediate and in the synthesis of pharmaceuticals and agrochemicals. Additionally, it has been studied for its potential use in the treatment of certain medical conditions. Overall, 3-CYANO-4,6-DIMETHYL-2-MERCAPTOPYRIDINE is a versatile and valuable chemical with a range of potential applications.

InChI:InChI=1/C8H8N2S/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11)

Upstream product

• 7357-70-2 Cyanothioacetamide 
• 74701-66-9 1-(prop-1-en-2-yl)pyrrolidine 
• 75-07-0 acetaldehyde 
• 67532-59-6 1-(prop-1-en-2-yl)piperidine 
• 67-64-1 acetone 
• 123-54-6 acetylacetone 
• 63913-42-8 (3E)-4-morpholin-4-yl-pent-3-en-2-one 

Downstream Products

• 72456-86-1 S-methyl-4,6-dimethyl-2-thiopyridine-3-carbonitrile 
• 496845-20-6 N-(2,4,6-trimethylthieno[2,3-b]pyridin-3-yl)-N'-phenylthiourea 
• 58327-83-6 2-(4-chlorobenzylidene)-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridin-3-one 
• 55023-32-0 4,6-dimethylthieno[2,3-b]pyridine-3(2H)-one 
• 58327-76-7 3-amino-2-carboxylic acid-4,6-dimethylthieno[2,3-b]pyridine 
• 67795-42-0 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide 
• 1203551-20-5 1-phenyl-6-(3-cyano-4,6-dimethylpyridin-2-ylmercaptomethyl)pyrazolo[3,4-d]pyrimidin-4(5H)-one 
• 313379-69-0 C₁₆H₁₃BrN₂OS 
• 342388-58-3 C₁₆H₁₃BrN₂OS 
• 309280-63-5 C₁₆H₁₂Cl₂N₂OS 

Relevant articles and documents

Synthesis, Characterization, and Antifungal Activity of Some New Thieno[2,3-b]pyridines Incorporating Quinazoline or Benzimidazole Moiety

Abstract: Reaction of 4,6-dimethyl-3-cyanopyridine-2(1H)-thione (IIIa) or 4,5,6-trisubstituted-3-cyanopyridine-2(1H)-thiones (IIIb–d) with 2-chloromethylquinazoline-4(3H)-one (IVa) furnished the corresponding 3-amino-2-(4-oxo-3,4-dihydroquinazolin-2-yl)thieno[2,3-b]pyridines (VIa–d). Reaction of aminothieno-pyridines (VIa, b, d) were reacted with triethyl orthoformate, acetic anhydride or nitrous acid to furnish pyridothienopyrimidoquinazolines (VIIIa, b, d), (IXa, b, d) or pyridothienotriazinoquinazolines (Xa, b, d). The new compound, 3-cyano-5-acetyl-6-methyl-4-styrylpyridine-2(1H)-thione (IIIe) was synthesized and reacted with 2-chloromethyl-1H-benzimadazole to give 5-acetyl-3-amino-2-(1H-benzimidazol-2-yl)-6-methyl-4-styryl-thieno[2,3-b]pyridine (XII) which was used as a key intermediate for synthesizing pyridothienopyrimidobenzimidazoles (XIII, XIV). All newly synthesized compounds were characterized on the basis of their elemental and spectral analyses. Also, most of the synthesized compounds were screened in vitro for their antifungal activity.

Discovery and optimization of thienopyridine derivatives as novel urea transporter inhibitors

Urea transporters (UTs) play an important role in the urine concentrating mechanism and are recognized as novel targets for developing small molecule inhibitors with salt-sparing diuretic activity. Thienoquinoline derivatives, a class of novel UT-B inhibitors identified by our group, play a significant diuresis in animal model. However, the poor solubility and low bioavailability limited its further development. To overcome these shortcomings, the structure modification of thienoquinoline was carried out in this study, which led to the discovery of novel thienopyridine derivatives as specific urea transporter inhibitors. Further optimization obtained the promising preclinical candidate 8n with not only excellent inhibition effect on urea transporters and diuretic activity on rat model, but also suitable water solubility and Log P value.

Experimental and theoretical study on the regioselective bis- and polyalkylation of 2-mercaptonicotinonitrile and 2-mercaptopyrimidine-5-carbonitrile derivatives

The synthetic utility of 2-mercaptonicotinonitriles 3 and 4, as well as 2-mercapto-4-oxo-6-phenyl-1,4-dihydropyrimidine-5-carbonitrile 20 as building blocks for novel bis- and poly(pyridines), along with poly(pyrimidines) via alkylation with the corresponding bis- and poy(halo) compounds was investigated. Spectroscopic and theoretical studies confirmed the S-alkylation rather than the N-alkylation.