5-Bromo-4-methoxy-2-(methylsulfanyl)pyrimidine

Basic Information

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CAS Number

81560-09-0

Molecular Formula

C6H7BrN2OS

Molecular Weight

235.11 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

Density

1.66

SMILES

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COC1=NC(=NC=C1Br)SC

InChI

InChI=1S/C6H7BrN2OS/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3

InChIKey

OZARIZHUDBYVNT-UHFFFAOYSA-N

LogP

1.9695999999999998

Topological Polar Surface Area

35.010000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

127

Synonyms & References

English

C6H7BrN2OS
BS-24427
5-BROMO-4-METHOXY-2-(METHYLTHIO)PYRIMIDINE
SY064905
81560-09-0
5-bromo-4-methoxy-2-(methylsulfanyl)pyrimidine
DTXSID30511816
CS-0045731
MFCD07781215
5-Bromo-2-(methylthio)-4-methoxypyrimidine
AMY36353
OZARIZHUDBYVNT-UHFFFAOYSA-N
SCHEMBL14994327
FT-0711293
AB42583
5-bromo-4-methoxy-2-methylsulfanylpyrimidine
5-Bromo-4-methoxy-2-(methylthio)pyrimidine
5-BROMO-2-(METHYLTHIO)-4-METHOXYPYRIMIDINE
2-methylthio-4-methoxy-5-bromopyrimidine
5-Bromo-4-methoxy-2-(methylmercapto)pyrimidine
5-Bromo-4-methoxy-2-(methylsulphanyl)pyrimidine
OR8528

MDL Number

MFCD07781215

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 5-Bromo-4-methoxy-2-(methylsulfanyl)pyrimidine (CAS: 81560-09-0)?

5-Bromo-4-methoxy-2-(methylsulfanyl)pyrimidine is a colorless crystalline solid with a molecular weight of approximately 244.07 g/mol. It has a solubility of about 2.5 g/L in water and is moderately soluble in organic solvents. It is relatively inert under normal conditions but can react with strong oxidizing agents. This compound is typically used in the synthesis of other organic compounds and pharmaceuticals.

How is 5-Bromo-4-methoxy-2-(methylsulfanyl)pyrimidine (CAS: 81560-09-0) typically synthesized?

5-Bromo-4-methoxy-2-(methylsulfanyl)pyrimidine is commonly synthesized through the bromination of 4-methoxy-2-(methylsulfanyl)pyrimidine. This process involves the use of a brominating agent, such as N-bromosuccinimide (NBS) and azobisisobutyronitrile (AIBN) as a photoinitiator. The reaction typically yields a mixture of isomers, and purification is achieved through recrystallization or chromatography.

What industries use 5-Bromo-4-methoxy-2-(methylsulfanyl)pyrimidine (CAS: 81560-09-0)?

5-Bromo-4-methoxy-2-(methylsulfanyl)pyrimidine is widely used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in the polymer industry for the preparation of functionalized polymers and in the sensor industry for the development of chemical sensors. Additionally, it has potential uses in the semiconductor industry for electronic applications.

What precautions should be taken when handling 5-Bromo-4-methoxy-2-(methylsulfanyl)pyrimidine (CAS: 81560-09-0)?

When handling 5-Bromo-4-methoxy-2-(methylsulfanyl)pyrimidine, it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a laboratory coat. It should be stored in a cool, dry place away from direct sunlight and oxidizing agents. In case of a spill, it should be handled in a fume hood, and the Material Safety Data Sheet (MSDS) should be consulted for specific spill cleanup procedures. Always ensure good ventilation and work in a well-ventilated area or fume hood.