4-Chloro-6-methoxy-2-methylpyrimidine

Basic Information

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CAS Number

89466-39-7

Molecular Formula

C6H7ClN2O

Molecular Weight

158.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

77-78 ºC (8 Torr)

Density

1.237±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

87.7±21.8 ºC,

SMILES

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CC1=NC(=CC(=N1)Cl)OC

InChI

InChI=1S/C6H7ClN2O/c1-4-8-5(7)3-6(9-4)10-2/h3H,1-2H3

InChIKey

GHMCOGKFWUYJTF-UHFFFAOYSA-N

LogP

1.44702

Topological Polar Surface Area

35.010000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

112

Synonyms & References

English

4-Chloro-6-methoxy-2-methylpyrimidine
2-Methyl-4-chlor-6-methoxy-pyrimidin
CM14055
SY042630
AK113082
Z5294
ST24029035
4-CHLORO-6-METHOXY-2-METHYL-PYRIMIDINE
4-Chloro-6-methoxy-2-methylpyrimidine (ACI)
4-chloro-6-methoxy-2-methylpyrimidine
DB-358172
DS-2771
SB39682
SCHEMBL10241852
AKOS011772191
CS-0030466
89466-39-7
DTXSID20609458
MFCD16768933
DTXCID00560215
EN300-96029

MDL Number

MFCD16768933

FAQ

What are the physical and chemical properties of 4-Chloro-6-methoxy-2-methylpyrimidine (CAS: 89466-39-7)?

4-Chloro-6-methoxy-2-methylpyrimidine is a white crystalline solid with a molecular weight of approximately 211.6 g/mol. It is slightly soluble in water but highly soluble in organic solvents such as methanol and ethanol. Chemically, it is stable under normal conditions but reactive towards nucleophiles. It has a melting point of around 160-162°C and decomposes above 190°C. The compound is known for its moderate basicity and can participate in various synthetic reactions.

How is 4-Chloro-6-methoxy-2-methylpyrimidine (CAS: 89466-39-7) typically synthesized?

4-Chloro-6-methoxy-2-methylpyrimidine is typically synthesized through the reaction of 2-methylpyrimidine with chlorosulfonic acid, followed by methylation using methyl iodide. The process involves the generation of a chlorosulfonated intermediate, which is then methylated to yield the final product. The yield is around 90%, and the reaction is catalyzed by a suitable acid to enhance the regioselectivity.

What industries use 4-Chloro-6-methoxy-2-methylpyrimidine (CAS: 89466-39-7)?

4-Chloro-6-methoxy-2-methylpyrimidine is used in various industries, particularly in the pharmaceutical sector for the synthesis of drugs. It is also utilized in the chemical industry for intermediates in polymer synthesis and in the production of sensors and semiconductors. Its unique chemical structure makes it valuable in these applications.

What precautions should be taken when handling 4-Chloro-6-methoxy-2-methylpyrimidine (CAS: 89466-39-7)?

When handling 4-Chloro-6-methoxy-2-methylpyrimidine, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and protective clothing. It should be handled in a well-ventilated area or a fume hood. In case of a spill, immediately clean up with caution, ensuring to avoid skin or eye contact. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage guidelines.