Dimethyl 3,5-Pyridinedicarboxylate

Basic Information

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CAS Number

4591-55-3

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

SMILES

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COC(=O)C1=CC(=CN=C1)C(=O)OC

InChI

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

InChIKey

HDTNLHHNQYBOHJ-UHFFFAOYSA-N

LogP

0.6547999999999999

Topological Polar Surface Area

65.49 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

207

Synonyms & References

English

D5364
SY106655
SR-01000398094-1
SCHEMBL56951
Dimethyl pyridine-3 pound not5-dicarboxylate
A826926
DTXSID60196655
SR-01000398094
FT-0667548
Dimethylpyridine-3,5-Dicarboxylate
3,5-pyridinedicarboxylic acid,3,5-dimethyl ester
MFCD00518827
3,5-dimethyl pyridine-3,5-dicarboxylate
3,5-Pyridinedicarboxylic acid, 3,5-dimethyl ester
F1225-0012
3,5-Bismethoxycarbonylpyridine
DS-16955
NSC403260
NSC-403260
3,5-Dicarbomethoxypyridin
Dimethyl 3,5-pyridinedicarboxylate
NCGC00326348-01
Oprea1_681193
CS-W001575
AB01321151-02
NSC 403260
SDCCGMLS-0065571.P001
2C5J3Y2XKM
Pyridine-3,5-dicarboxylic acid dimethyl ester
3,5-Pyridinedicarboxylic acid, dimethyl ester
Oprea1_362211

MDL Number

MFCD00518827

FAQ

What are the physical and chemical properties of Dimethyl 3,5-Pyridinedicarboxylate (CAS: 4591-55-3)?

Dimethyl 3,5-Pyridinedicarboxylate (CAS: 4591-55-3) is a colorless to amber liquid with a molecular weight of approximately 170.16 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. Chemically, it is highly reactive and susceptible to hydrolysis. It crystallizes in the form of prisms at low temperatures.

How is Dimethyl 3,5-Pyridinedicarboxylate (CAS: 4591-55-3) typically synthesized?

Dimethyl 3,5-Pyridinedicarboxylate is typically synthesized through the reaction of pyridine-3,5-dicarboxylic acid with dimethyl sulfate in the presence of a base like sodium hydroxide. The process involves the esterification of the carboxylic acid groups, resulting in high selectivity and yield. The reaction is conducted under mild conditions to ensure product purity.

What industries use Dimethyl 3,5-Pyridinedicarboxylate (CAS: 4591-55-3)?

Dimethyl 3,5-Pyridinedicarboxylate (CAS: 4591-55-3) is used in a variety of industries, including pharmaceuticals for the synthesis of certain drugs, polymers for the production of advanced materials, and sensors for detecting specific chemical compounds. It is also utilized in the semiconductor industry for etching and other processes.

What precautions should be taken when handling Dimethyl 3,5-Pyridinedicarboxylate (CAS: 4591-55-3)?

When handling Dimethyl 3,5-Pyridinedicarboxylate (CAS: 4591-55-3), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be handled with care, using appropriate absorbents, and the area should be cleaned with water. Always consult the safety data sheet (SDS) for detailed handling and emergency procedures.