Dimethyl 2,5-pyridinedicarboxylate

Basic Information

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CAS Number

881-86-7

Molecular Formula

C9H9NO4

Molecular Weight

195.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

213-217 °C

Boiling Point

302.9°C at 760 mmHg

Density

1.231

Water Solubility

Soluble in Dichloromethane and Ethyl Acetate. Insoluble in water.

Flash Point

137°C

Refractive Index

1.516

SMILES

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COC(=O)c1ccc(nc1)C(=O)OC

InChI

InChI=1S/C9H9NO4/c1-13-8(11)6-3-4-7(10-5-6)9(12)14-2/h3-5H,1-2H3

InChIKey

TUGSJNQAIMFEDY-UHFFFAOYSA-N

LogP

0.6547999999999999

Topological Polar Surface Area

65.49 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

229

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Dimethyl pyridine-2,5-dicarboxylate
Dimethyl isocinchomeronate~Pyridine-2,5-dicarboxylic acid dimethyl ester
Dimethyl 2,5-Pyridinedicarboxylate
2,5-Pyridinedicarboxylic acid, 2,5-dimethyl ester
5-dimethyl pyridine 2,5-dicarboxylate
2,5-Pyridinedicarboxylic acid, dimethyl ester
Dimethyl isocinchomeronate
pyridine-2,5-dicarboxylic acid dimethyl ester
TUGSJNQAIMFEDY-UHFFFAOYSA-N
2,5-dimethyl pyridine-2,5-dicarboxylate
Dimethyl 2,5-pyridine dicarboxylate
Maybridge1_006391
MLS000084758
HMS559K11
AMPD00244
methyl 6-methoxycarbonylnicotinate
Pyridine-2,5-Dimethylcarboxylate
HMS23
2,5-Dimethyl 2,5-pyridinedicarboxylate (ACI)
2,5-Pyridinedicarboxylic acid, dimethyl ester (6CI, 7CI, 8CI, 9CI)
2,5-Bis(methoxycarbonyl)pyridine
2,5-Dicarbomethoxypyridine
2,5-Dimethyl pyridine-2,5-dicarboxylate
Dimethyl 2,5-pyridinedicarboxylate
Isocinchomeronic acid dimethyl ester
NSC 35758

MDL Number

MFCD00034767

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Dimethyl 2,5-pyridinedicarboxylate (CAS: 881-86-7)?

Dimethyl 2,5-pyridinedicarboxylate (CAS: 881-86-7) is a crystalline compound with a molecular weight of approximately 210.17 g/mol. It is slightly soluble in water but readily soluble in organic solvents like methanol and acetone. Chemically, it is a dicarboxylic acid derivative, showing moderate reactivity in esterification and carboxylation reactions. It is stable under normal conditions but should be stored in a dry environment to avoid hydrolysis.

How is Dimethyl 2,5-pyridinedicarboxylate (CAS: 881-86-7) typically synthesized?

Dimethyl 2,5-pyridinedicarboxylate (CAS: 881-86-7) is typically synthesized via the esterification of 2,5-pyridinedicarboxylic acid with dimethyl carbonate. Commonly used catalysts include magnesium sulfate or aluminum chloride. The reaction is carried out under mild conditions, and the high selectivity and high yield make this method a standard in industrial synthesis.

What industries use Dimethyl 2,5-pyridinedicarboxylate (CAS: 881-86-7)?

Dimethyl 2,5-pyridinedicarboxylate (CAS: 881-86-7) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also used in the production of polymers and as a precursor in the development of sensors and semiconductors. Its unique chemical properties make it a valuable compound in these and other specialized applications.

What precautions should be taken when handling Dimethyl 2,5-pyridinedicarboxylate (CAS: 881-86-7)?

When handling Dimethyl 2,5-pyridinedicarboxylate (CAS: 881-86-7), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately with appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed precautionary measures and emergency procedures.