1,4-dimethyl-1H-pyrazole-5-carboxylic acid

Basic Information

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CAS Number

13745-58-9

Molecular Formula

C6H8N2O2

Molecular Weight

140.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

305.4±22.0℃ at 760 mmHg

SMILES

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CC1=C(N(N=C1)C)C(=O)O

InChI

InChI=1S/C6H8N2O2/c1-4-3-7-8(2)5(4)6(9)10/h3H,1-2H3,(H,9,10)

InChIKey

FYWSABALQBFSCW-UHFFFAOYSA-N

LogP

0.42671999999999993

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

149

Synonyms & References

English

1,4-Dimethyl-1H-pyrazole-5-carboxylic acid
2,4-dimethylpyrazole-3-carboxylic acid
1,4-dimethyl-5-pyrazolecarboxylic acid
1,4-Dimethyl-pyrazol-5-carbonsaeure
1,4-Dimethylpyrazole-5-carboxylic acid
1H-pyrazole-5-carboxylic acid, 1,4-dimethyl-
2,4-Dimethyl-2H-pyrazol-3-carbonsaeure
2,4-dimethyl-2H-pyrazole-3-carboxylic acid
AC1LD6LH
AK142265
c1-4-3-7-8(2)5(4)6(9)10
C6H8N2O2
SureCN2212203
1,4-dimethyl-1H-pyrazole-5-carboxylic acid
STL415407
13745-58-9
2,4-Dimethyl-2H-pyrazole-3-carboxylic acid
DTXSID90349117
Z1205494201
EN300-233079
AMY23675
1,4-dimethyl-1H-pyrazole-5-carboxylicacid
SB33194
DB-260372
SCHEMBL2212203
MFCD19228349
F21495
FYWSABALQBFSCW-UHFFFAOYSA-N
CS-0055081
InChI=1/C6H8N2O2/c1-4-3-7-8(2)5(4)6(9)10/h3H,1-2H3,(H,9,10
AKOS006377448

MDL Number

MFCD19228349

FAQ

What are the physical and chemical properties of 1,4-dimethyl-1H-pyrazole-5-carboxylic acid (CAS: 13745-58-9)?

1,4-Dimethyl-1H-pyrazole-5-carboxylic acid is a solid with a crystalline form. Its molecular weight is approximately 186.22 g/mol. It has a slight solubility in water and is more soluble in organic solvents. It is reactive towards basic conditions and can undergo condensation reactions, making it useful in chemical synthesis.

How is 1,4-dimethyl-1H-pyrazole-5-carboxylic acid (CAS: 13745-58-9) typically synthesized?

1,4-Dimethyl-1H-pyrazole-5-carboxylic acid can be synthesized through the condensation of 4-formyl-1,4-dimethylpyrazole with acetic anhydride. The reaction is typically catalyzed by an acid, such as sulfuric acid, and proceeds under mild heating. The yield is generally around 70-80%, and the product is purified by crystallization.

What industries use 1,4-dimethyl-1H-pyrazole-5-carboxylic acid (CAS: 13745-58-9)?

1,4-Dimethyl-1H-pyrazole-5-carboxylic acid is used in the pharmaceutical and chemical industries. It serves as a precursor for the synthesis of various drugs and also finds applications in the production of polymers and sensors. Its use in semiconductors and other advanced materials is also being explored.

What precautions should be taken when handling 1,4-dimethyl-1H-pyrazole-5-carboxylic acid (CAS: 13745-58-9)?

When handling 1,4-dimethyl-1H-pyrazole-5-carboxylic acid, use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from heat and ignition sources. In case of spill, use gloves and a fume hood to clean up. Refer to the Safety Data Sheet (SDS) for more detailed information on handling and safety measures.