33097-11-9

Basic information

• Product Name: 4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE
• Synonyms: ASISCHEM C51986;4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE;4,6-DICHLORO-2-(METHYLTHIO)-5-FORMYLPYRIMIDINE;4,6-Dichloro-2-Methylsulfamylpyrimidine-5-Carboxaldehyde;2-Aminomethylimidazoledihydrochloride;4,6-Dichloro-2-(methylthio)pyrimidine-5-carbaldehyde;4,6-Dichloro-2-(methylthio)-5-pyrimidinecarbaldehyde;4,6-Dichloro-2-(methylthio)-5-pyrimidinecarboxaldehyde
• CAS NO: 33097-11-9
• Molecular Formula: C₆H₄Cl₂N₂OS
• Molecular Weight: 223.08
• Product Categories: Nucleotides and Nucleosides;Bases & Related Reagents;Nucleotides;pyrimidine;Heterocycle-Pyrimidine series
• Mol File: 33097-11-9.mol
• Article Data: 18

Chemical Properties

• Melting Point: 82-84°C
• Boiling Point: 327.7 °C at 760 mmHg
• Flash Point: 152 °C
• Appearance: Pale Yellow Solid
• Density: 1.57 g/cm³
• Vapor Pressure: 0.000199mmHg at 25°C
• Refractive Index: 1.616
• Storage Temp.: -20?C Freezer
• Solubility: Chloroform, Ether, Ethyl Acetate
• PKA: -6.47±0.39(Predicted)
• CAS DataBase Reference: 4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE(33097-11-9)
• EPA Substance Registry System: 4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE(33097-11-9)

Safety Data

• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 36/37
• WGK Germany: 3
• Hazardous Substances Data: 33097-11-9(Hazardous Substances Data)

Usage

Description

4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE, also known as 4,6-Dichloro-2-(methylthio)-5-formylpyrimidine (CAS# 33097-11-9), is an organic compound with a pale yellow solid appearance. It is characterized by its unique molecular structure, which includes a pyrimidine ring with a formyl group at the 5-position, a methylthio group at the 2-position, and two chlorine atoms at the 4 and 6 positions. 4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE is known for its utility in various organic synthesis processes.

Uses

Used in Organic Synthesis:
4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE is used as a synthetic intermediate for the development of various chemical compounds. Its unique structure allows it to be a versatile building block in the synthesis of a wide range of molecules, including pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE is used as a key component in the development of new drugs. Its chemical properties make it suitable for the creation of novel therapeutic agents, particularly those targeting various diseases and medical conditions.
Used in Agrochemical Industry:
4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE is also utilized in the agrochemical industry for the synthesis of new pesticides and other crop protection agents. Its unique molecular structure can be exploited to design compounds with improved efficacy and selectivity, leading to more effective and environmentally friendly products.
Used in Research and Development:
In the field of research and development, 4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE serves as an important compound for exploring new chemical reactions and understanding the underlying mechanisms. Its use in this context can lead to the discovery of new synthetic routes and the development of innovative applications in various industries.

InChI:InChI=1/C6H4Cl2N2OS/c1-12-6-9-4(7)3(2-11)5(8)10-6/h2H,1H3

Upstream product

• 91759-32-9 2-Thiobarbituric acid 
• 68-12-2 N,N-dimethyl-formamide 
• 1979-98-2 2,4-dihydroxy-2-methylmercaptopyrimidine (zwitterionic form) 
• 1979-98-2 4,6-dihydroxy-2-methylmercaptopyrimidine 

Downstream Products

• 939979-05-2 4-chloro-6-(2,4-dichlorobenzylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde 
• 1220517-81-6 4-chloro-1-ethyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine 
• 200627-20-9 ethyl (4-chloro-5-formyl-2-methylthiopyrimidin-6-ylthio)acetate 
• 592523-77-8 7-chloro-9-methylthio-3-phenylpyrimido[5,4-f][1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine 
• 444605-15-6 4-chloro-6-(2-chlorophenylamino)-2-methylsulfanylpyrimidine-5-carboxaldehyde 
• 444605-10-1 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbaldehyde 
• 445040-58-4 4-chloro-6-dimethylamino-2-methylsulfanylpyrimidine-5-carboxaldehyde 
• 444605-13-4 4-Chloro-6-(2,6-difluoro-phenylamino)-2-methylsulfanyl-pyrimidine-5-carbaldehyde 
• 911370-03-1 4-chloro-2-methylsulfanyl-8-(2,4-difluoro-phenyl)-8H-pyrido[2,3-d]pyrimidin-7-one 
• 911370-02-0 4-chloro-2-methylsulfanyl-8-(4-trifluoromethyl-phenyl)-8H-pyrido[2,3-d]pyrimidin-7-one 
• 445040-60-8 4-chloro-2-methylsulfanyl-6-(piperidin-1-yl)pyrimidine-5-carboxaldehyde 

Relevant articles and documents

NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING

New pyrimidine derivatives together with a membrane penetrating agent, optionally with a detectable isotope and pharmaceutical composition for use in treatment or prevention of Gram-negative bacterial infection in a host mammal in need of such treatment or prevention and use as inhibitors of Gram-negative biofilm formation on a surface of biomaterial or medical device, particularly of cardiovascular device such as prosthetic heart valve or pacemakers. New pyrimidine derivatives together with a membrane penetrating agent; for use as radiotracer in diagnosing or prognosing Gram-negative bacterial infection in a host mammal.

PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS

New pyrimidine derivatives of formula (I), optionally with a detectable isotope, pharmaceutical composition and method of preparation thereof. New pyrimidine derivatives for use in treatment or prevention of bacterial infection in a host mammal in need of such treatment or prevention and use as inhibitors of biofilm formation on a surface of biomaterial or medical device, particularly of cardiovascular device such as prosthetic heart valve or pacemakers. New pyrimidine derivatives for use as radiotracer in diagnosing or prognosing bacterial infection in a host mammal.

Exploring the chemical space around the privileged pyrazolo[3,4-d] pyrimidine scaffold: Toward novel allosteric inhibitors of T315I-mutated Abl

A library of pyrazolo[3,4-d]pyrimidines, endowed with a high level of molecular diversity, has been developed applying a synthetic sequence that allowed C3, N1, C4, and C6 substitution. The enzymatic screening of this "privileged scaffold"-based compound collection, validated the use of a diversity-oriented approach in a field characteristically explored by target-oriented synthesis. In fact, several compounds showed high activity against the selected kinases (i.e., Src, Abl wt, and T315I mutated-form), furthermore and interestingly a new compound has emerged as an allosteric inhibitor of the T315I mutated-form of Abl, opening up new opportunities for the development of a novel class of noncompetitive inhibitors of Abl (T315I).