2-Methoxy-6-methylnicotinonitrile

Basic Information

View in Editor

CAS Number

72918-03-7

Molecular Formula

C8H8N2O

Molecular Weight

137.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

View in Editor

CC1=NC(=C(C=C1)C#N)OC

InChI

InChI=1S/C8H8N2O/c1-6-3-4-7(5-9)8(10-6)11-2/h3-4H,1-2H3

InChIKey

IDUHMLQSIWHQKZ-UHFFFAOYSA-N

LogP

1.70704

Topological Polar Surface Area

22.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

172

Synonyms & References

English

Z714049228
DTXSID60415833
EN300-51501
IDUHMLQSIWHQKZ-UHFFFAOYSA-N
2-methoxy-6-methyl-pyridine-3-carbonitrile
CS-0342218
2-methoxy-6-methylnicotinonitrile
MFCD12912974
VS-11114
2-Methoxy-6-methyl-nicotinonitrile
BB 0241032
InChI=1/C8H8N2O/c1-6-3-4-7(5-9)8(10-6)11-2/h3-4H,1-2H
AKOS000275864
CHEMBL4516256
SB38481
AB01005428-01
F71927
3-cyano-2-methoxy-6-methylpyridine
2-methoxy-6-methylpyridine-3-carbonitrile
SCHEMBL3967035
F2130-0104
72918-03-7
2-Methoxy-6-methylnicotinonitrile
2-Methoxy-3-cyano-6-methylpyridine
2-Methoxy-6-methyl-nicotinonitril
3-Cyano-2-methoxy-6-methylpyridine

MDL Number

MFCD12912974

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Methoxy-6-methylnicotinonitrile (CAS: 72918-03-7)?

2-Methoxy-6-methylnicotinonitrile is a crystalline solid with a molecular weight of approximately 188.21 g/mol. It has a high melting point of around 133-135°C and is soluble in organic solvents such as methanol and ethanol. This compound is moderately reactive, particularly towards nucleophiles, and can engage in substitution and addition reactions.

How is 2-Methoxy-6-methylnicotinonitrile (CAS: 72918-03-7) typically synthesized?

2-Methoxy-6-methylnicotinonitrile is commonly synthesized via a multistep process, starting from nicotinonitrile. The key steps involve methylation using methyl triflate as a methylating agent and subsequent methoxylation with methanol in the presence of a base like sodium methoxide. The overall yield is around 85-90% with good selectivity.

What industries use 2-Methoxy-6-methylnicotinonitrile (CAS: 72918-03-7)?

2-Methoxy-6-methylnicotinonitrile finds applications in various industries. It is primarily used in the pharmaceutical sector for synthesizing intermediates in drug formulations. Additionally, it plays a role in the polymer industry for the development of novel materials, and in the sensor industry for creating gas sensing devices.

What precautions should be taken when handling 2-Methoxy-6-methylnicotinonitrile (CAS: 72918-03-7)?

When handling 2-Methoxy-6-methylnicotinonitrile, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. It should be stored in a closed container, away from direct sunlight and heat sources. In case of a spill, it should be dealt with using appropriate absorbent materials and the incident should be reported to the safety officer. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.