2-Isobutyl-3-methoxypyrazine

Basic Information

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CAS Number

24683-00-9

Molecular Formula

C9H14N2O

Molecular Weight

166.22 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

Basic Physical Properties

Melting Point

107

Boiling Point

210.8℃ at 760 mmHg

Refractive Index

n20/D 1.488-1.492<br />n20/D 1.49(lit.)

Vapor Pressure

0.3±0.4 mmHg at 25°C

SMILES

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COc1nccnc1CC(C)C

InChI

InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3

InChIKey

UXFSPRAGHGMRSQ-UHFFFAOYSA-N

LogP

1.6837

Topological Polar Surface Area

35.010000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

128

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

2-Isobutyl-3-methoxypyrazine
2-Methoxy-3-isobutylpyrazine
2-Isobutyl-3-methoxypyrazine Odor Standard
2-Isobutyl-3-methoxypyrazine solution
2-isobuthyl-3-methoxypyrazine
2-Isobutyl-3-methoxypyrazine1000µg
2-methoxy-3-iosobutylpyrazine
2-Methoxy-3-isobutyl
3-ISOBUTYL-2-METHOXYPYRAZINE
3-methoxy-2-isobutylpyrazine
Femano.3132
ipmp
2-Methoxy-3-(2-methylpropyl)pyrazine
2-methoxy-3-isobutyl pyrazine
1dzk
Pyrazine, 2-methoxy-3-(2-methylpropyl)-
IBMP
2-Isobutyl-3-methoxy-pyrazine
Pyrazine, 2-isobutyl-3-methoxy
Pyrazine, 2-methoxy, 3-isobutyl
S327O0T12O
AK116596
2-Methoxy-3-(2-methyl-propyl) pyrazine
Pyrazine, 3-methoxy-2-(2-methylpropyl)
Py
3-Isobutyl-2-methoxypyrazine

MDL Number

MFCD00006128

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-Isobutyl-3-methoxypyrazine (CAS: 24683-00-9)?

2-Isobutyl-3-methoxypyrazine is a colorless or pale yellow liquid with a strong, grassy odor. Its molecular weight is approximately 172.23 g/mol. It has a low solubility in water (0.1 g/L at 25°C) but is more soluble in organic solvents. This compound is relatively stable but can react with strong oxidizing agents. It is typically used as a flavor and fragrance compound.

How is 2-Isobutyl-3-methoxypyrazine (CAS: 24683-00-9) typically synthesized?

2-Isobutyl-3-methoxypyrazine can be synthesized through a Grignard reaction followed by a nucleophilic substitution. The reaction involves the reaction of isobutyl magnesium bromide with 3-methoxypyrazine in an ether solvent. Other methods include the use of organocuprate reagents or palladium-catalyzed cross-coupling reactions. The yield and selectivity can be controlled by adjusting conditions such as temperature and solvent.

What industries use 2-Isobutyl-3-methoxypyrazine (CAS: 24683-00-9)?

2-Isobutyl-3-methoxypyrazine is primarily used in the food and beverage industry as a flavor enhancer, particularly in wines and spirits to impart a characteristic earthy, grassy flavor. It is also used in the fragrance industry to add a green, vegetal note to fragrances. Additionally, it has applications in the tobacco industry as a flavoring agent.

What precautions should be taken when handling 2-Isobutyl-3-methoxypyrazine (CAS: 24683-00-9)?

Handling 2-Isobutyl-3-methoxypyrazine requires appropriate safety measures. It should be stored in a cool, dry place away from heat sources. Protective equipment such as gloves, goggles, and a lab coat should be worn during handling. Use a fume hood when working with the compound to minimize inhalation risk. In case of a spill, immediately clean up the area and dispose of the waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.