3,5-diethyl 1H-pyrazole-3,5-dicarboxylate

Basic Information

View in Editor

CAS Number

37687-24-4

Molecular Formula

C9H12N2O4

Molecular Weight

212.2 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

52.0 to 57.0 deg-C

Boiling Point

362.5℃ at 760 mmHg

Flash Point

173ºC

Refractive Index

1.5373 (estimate)

SMILES

View in Editor

CCOC(=O)C1=CC(=NN1)C(=O)OCC

InChI

InChI=1S/C9H12N2O4/c1-3-14-8(12)6-5-7(11-10-6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11)

InChIKey

MBWXLICVQZUJOW-UHFFFAOYSA-N

LogP

0.7630999999999999

Topological Polar Surface Area

81.28000000000002 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

244

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

BS-4202
1H-Pyrazole-3,5-dicarboxylic acid, diethyl ester
DIETHYL PYRAZOLE-3,5-DICARBOXYLATE
3,5-diethyl 1H-pyrazole-3,5-dicarboxylate
NSC97126
BP-12427
3,5-(Diethoxycarbonyl)-1H-pyrazole
CS-D1744
diethyl 1H-pyrazole-3,5-dicarboxylate
SCHEMBL1007015
Diethyl 3,5-pyrazoledicarboxylate, 98%
3,5-Pyrazoledicarboxylic Acid Diethyl Ester
A823828
EN300-116033
D3507
SB21930
AM803811
Pyrazole-3,5-dicarboxylic Acid Diethyl Ester
37687-24-4
DTXSID00191124
1H-pyrazole-3,5-dicarboxylic acid diethyl ester
diethyl-3,5-pyrazole dicarboxylate
Diethyl 3,5-pyrazoledicarboxylate
AC-9372
MFCD00152167
3,5-diethoxycarbonyl-1H-pyrazole
Z1493464649
BCP06818
di-ethyl 1h-pyrazole-3,5-dicarboxylate
3,5-Diethoxycarbonylpyrazole
NSC 97126

MDL Number

MFCD00152167

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 3,5-diethyl 1H-pyrazole-3,5-dicarboxylate (CAS: 37687-24-4)?

3,5-diethyl 1H-pyrazole-3,5-dicarboxylate is a white crystalline solid with a molecular weight of approximately 210.26 g/mol. It has a high solubility in organic solvents like dimethylformamide and moderate solubility in water. The compound exhibits good reactivity, particularly towards nucleophilic substitution and esterification reactions.

How is 3,5-diethyl 1H-pyrazole-3,5-dicarboxylate (CAS: 37687-24-4) typically synthesized?

3,5-diethyl 1H-pyrazole-3,5-dicarboxylate is commonly synthesized via the reaction of a diethyl pyrazole with a dicarboxylic acid chloride or anhydride in a polar aprotic solvent like dichloromethane. The reaction typically proceeds with good yields and selectivity, often enhanced by the use of a base such as triethylamine.

What industries use 3,5-diethyl 1H-pyrazole-3,5-dicarboxylate (CAS: 37687-24-4)?

3,5-diethyl 1H-pyrazole-3,5-dicarboxylate is used in various industries, including pharmaceuticals for its potential as a drug candidate, and in polymers for its ability to enhance certain physical properties. It is also utilized in the development of sensors and semiconductors due to its unique chemical structure.

What precautions should be taken when handling 3,5-diethyl 1H-pyrazole-3,5-dicarboxylate (CAS: 37687-24-4)?

Proper handling of 3,5-diethyl 1H-pyrazole-3,5-dicarboxylate requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a dry, well-ventilated area and handled in a fume hood to prevent inhalation. Spills should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for comprehensive handling guidelines.