72760-85-1

Basic information

• Product Name: 3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE
• Synonyms: 3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE;3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE 97%;3-AMINO-4-CYANO-5-(METHYLTHIO)PYRAZOLE;3-amino-5-(methylthio)-1H-pyrazole-4-carbonitrile
• CAS NO: 72760-85-1
• Molecular Formula: C₅H₆N₄S
• Molecular Weight: 154.19
• Mol File: 72760-85-1.mol
• Article Data: 8

Chemical Properties

• Melting Point: 148-150°C
• Boiling Point: 475.2 °C at 760 mmHg
• Flash Point: 241.2 °C
• Appearance: /
• Density: 1.45 g/cm³
• Vapor Pressure: 3.4E-09mmHg at 25°C
• Refractive Index: 1.662
• Storage Temp.: 2-8°C(protect from light)
• CAS DataBase Reference: 3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE(72760-85-1)
• EPA Substance Registry System: 3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE(72760-85-1)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-22
• Safety Statements: 36
• RIDADR: 3276
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 72760-85-1(Hazardous Substances Data)

Usage

General Description

3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE is a chemical compound with the molecular formula C5H6N4S. It is a pyrazole derivative and contains an amino group, a methylthio group, and a cyano group. 3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It has also been studied for its potential biological activities, including its antimicrobial and antiproliferative properties. Additionally, 3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE has been investigated for its potential as a building block in drug discovery and development.

InChI:InChI=1/C5H6N4S/c1-10-5-3(2-6)4(7)8-9-5/h1H3,(H3,7,8,9)

Upstream product

• 5147-80-8 [Bis(methylthio)methylene]malononitrile 
• 34955-25-4 N-(pridin-3-yl)hydrazine carbothioamide 
• 5351-69-9 4-Phenyl-3-thiosemicarbazide 
• 75-15-0 carbon disulfide 
• 109-77-3 malononitrile 

Downstream Products

• 141212-87-5 4-imino-6-methylthio-5-p-tolylpyrazolo<3,4-d>pyrimidine 
• 852300-58-4 5-amino-1-(p-fluorobenzoylmethyl)-4-cyano-3-methylthio-1H-pyrazole 
• 141212-88-6 5-(4-Chloro-phenyl)-4-imino-3-methylsulfanyl-1,4,5,7-tetrahydro-pyrazolo[3,4-d]pyrimidine-6-thione 
• 141212-86-4 4-Imino-3-methylthio-5-phenyl-6-thioxo-1H-4,5,6,7-tetrahydro-pyrazolo<3,4-d>pyrimidin 

Relevant articles and documents

One-pot sequential double annulations cascade reaction for imidazo[1,2-b]pyrazoles synthesis

Abstract: We have developed efficient and green methods for the synthesis of imidazo[1,2-b]pyrazole derivatives by Groebke–Blackburn–Bienaymé (GBB) reaction of 5-aminopyrazole, aldehyde and trimethylsilyl cyanid under thermal condition in 1-n-butyl-3-methylimidazolium tetrafluoroborate [Bmim]BF4 ionic liquid. A one-pot sequential double annulation cascade reaction has also been demonstrated for imidazo[1,2-b]pyrazoles synthesis.

Reactive intermediates in the reaction of hydrazinecarbothioamides with 2-(bis(methylthio)methylene)malononitrile and ethyl 2-cyano-3,3-bis(methylthio)acrylate

Abstract: The reaction of N-substituted hydrazinecarbothioamides with both 2-(bis(methylthio)methylene)malononitrile and ethyl 2-cyano-3,3-bis(methylthio)acrylate afforded various heterocyclic rings such as 5-amino-4-cyano-3-(methylthio)-N-phenyl-1H-pyrazole-1-carbothioamide, 5-amino-3-(methylthio)-1H-pyrazole-4-carbonitrile, 4-substituted-3-(substituted amino)-1H-1,2,4-triazole-5(4H)-thione, ethyl 5-amino-3-(methylthio)-1-(substituted carbamothioyl)-1H-pyrazole-4-carboxylate, and (Z)-ethyl 2-cyano-2-(5-(substituted amino)-1,3,4-thiadiazol-2(3H)-ylidene)acetate. However, under gentle heating, the reaction of the same starting substances behaved differently. The structure of the obtained products was fully characterized using different spectral techniques including infrared (IR), nuclear magnetic resonance (NMR), and mass spectrometry (MS) together with elemental analyses as well as single-crystal X-ray diffraction analysis. Graphical abstract: [Figure not available: see fulltext.].

PYRAZOLOPYRIMIDINE COMPOUND

Disclosed is a novel compound having Syk and/or Abl inhibitory activities, which is useful for prevention/treatment of allergic diseases, autoimmune diseases, arthritides and cancers. Specifically disclosed is a pyrazolopyrimidine compound represented by