33097-13-1

Basic information

• Product Name: 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE
• Synonyms: 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE;4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBONITRILE;5-Cyano-4,6-dichloro-2-(methylthio)pyrimidine;,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE;5-PyriMidinecarbonitrile, 4,6-dichloro-2-(Methylthio)-;4,6-Dichloro-2-(methylthio)-5-pyrimidinecarbonitrile
• CAS NO: 33097-13-1
• Molecular Formula: C₆H₃Cl₂N₃S
• Molecular Weight: 220.08
• Product Categories: Heterocyclic Compounds;Bases & Related Reagents;Heterocycles;Nucleotides;Sulfur & Selenium Compounds;Heterocycle-Pyrimidine series
• Mol File: 33097-13-1.mol
• Article Data: 7

Chemical Properties

• Melting Point: 103-105°C
• Boiling Point: 367.3 °C at 760 mmHg
• Flash Point: 175.9 °C
• Appearance: /
• Density: 1.58 g/cm³
• Vapor Pressure: 1.38E-05mmHg at 25°C
• Refractive Index: 1.629
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility: Chloroform, Ethyl Acetate
• PKA: -7.56±0.39(Predicted)
• CAS DataBase Reference: 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE(33097-13-1)
• EPA Substance Registry System: 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE(33097-13-1)

Safety Data

• Hazard Codes: T,C
• Statements: 25-34
• Safety Statements: 26-36/37/39-45
• RIDADR: 2923
• WGK Germany: 3
• PackingGroup: Ⅲ
• Hazardous Substances Data: 33097-13-1(Hazardous Substances Data)

Usage

Description

4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE, with the CAS number 33097-13-1, is a light yellow solid compound that is primarily utilized in the field of organic synthesis. It is known for its unique chemical properties that make it a valuable component in the creation of various organic compounds.

Uses

Used in Organic Synthesis:
4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE is used as a synthetic building block for the development of new organic compounds. Its chemical structure allows it to be a versatile component in the synthesis of various molecules, particularly those with potential applications in pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE is used as a key intermediate in the synthesis of therapeutic agents. Its unique chemical properties enable the development of novel drug candidates with potential applications in treating various diseases and medical conditions.
Used in Agrochemical Industry:
4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE is also utilized in the agrochemical industry as a starting material for the synthesis of new pesticides and other crop protection agents. Its chemical structure can be modified to create compounds with enhanced efficacy and selectivity, contributing to the development of more effective and environmentally friendly agrochemical products.
Used in Specialty Chemicals:
In the specialty chemicals sector, 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE is employed as a crucial component in the synthesis of various high-value chemicals. Its unique properties make it suitable for the development of compounds with specific applications in industries such as materials science, electronics, and coatings.

InChI:InChI=1/C6H3Cl2N3S/c1-12-6-10-4(7)3(2-9)5(8)11-6/h1H3

Upstream product

• 33097-12-0 4,6-dichloro-2-(methylthio)-5-pyrimidinecarbaldehyde oxime 
• 1979-98-2 2,4-dihydroxy-2-methylmercaptopyrimidine (zwitterionic form) 
• 33097-11-9 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxyaldehyde 

Downstream Products

• 171511-23-2 4-Chloro-6-(2-chloro-phenylamino)-2-methylsulfanyl-pyrimidine-5-carbonitrile 
• 171511-22-1 4-(4-Bromo-phenylamino)-6-chloro-2-methylsulfanyl-pyrimidine-5-carbonitrile 
• 482344-45-6 3-(6-chloro-5-cyano-2-(methylthio)pyrimidin-4-ylamino)-N-methoxy-4-methylbenzamide 
• 482344-46-7 3-(5-cyano-6-(methyl(neopentyl)amino)-2-(methylthio)pyrimidin-4-ylamino)-N-methoxy-4-methylbenzamide 
• 868272-24-6 3-(5-cyano-6-(methyl(neopentyl)amino)-2-(methylsulfonyl)pyrimidin-4-ylamino)-N-methoxy-4-methylbenzamide 
• 627060-62-2 3-amino-4-chloro-1-methyl-6-methylthiopyrazolo[3,4-d]pyrimidine 
• 368889-83-2 [6-(4-Bromo-phenylamino)-5-cyano-2-methylsulfanyl-pyrimidin-4-ylsulfanyl]-acetic acid ethyl ester 
• 200626-99-9 [6-(2-Chloro-phenylamino)-5-cyano-2-methylsulfanyl-pyrimidin-4-ylsulfanyl]-acetic acid ethyl ester 
• 171511-19-6 5-Amino-4-(4-bromo-phenylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester 
• 171511-20-9 5-Amino-4-(2-chloro-phenylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester 
• 478180-41-5 4-chloro-6-[4-(4-fluoro-phenyl)-piperidin-1-yl]-2-methylsulfanyl-pyrimidine-5-carbonitrile 
• 357935-93-4 4-Chloro-6-(2,6-difluoro-phenylamino)-2-methylsulfanyl-pyrimidine-5-carbonitrile 
• 1076689-36-5 4-chloro-6-(3,5-difluorophenylamino)-2-methylsulfanylpyrimidine-5-carbonitrile 
• 725237-22-9 4-chloro-6-(3-methoxyphenylamino)-2-methylsulfanylpyrimidine-5-carbonitrile 

Relevant articles and documents

Design and development of arrayable syntheses to accelerate SAR studies of pyridopyrimidinone and pyrimidopyrimidinone

Chemoselectivity of chlorine versus methylthio (-SCH3), methylsulfinyl (-SOCH3), or methylsulfonyl [-S(O)2CH3] in either functionalization or substitution of pyridopyrimidinone and pyrimidopyrimidinone was studi

NOVEL COMPOUNDS

Novel substituted 2,4,8-trisubstituted-8H-pyrido[2,3-d]pyrimidin-7-one compounds, and 1,5,7-trisubstituted-3,4-dihydro-pyrimido[4,5-d]pyrimidin-2-(1H)-one compounds and compositions, and their use in therapy as CSBP/RK/p38 kinase inhibitors.

NOVEL COMPOUNDS

Novel substituted l,5,7-trisubstituted-354-dihydro-pyriinido[4,5-(flpyrimidin- 2-(2H)-one compounds and compositions, and their use in therapy as CSBP/RK/p38 kinase inhibitors.