Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate

Basic Information

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CAS Number

773136-70-2

Molecular Formula

C8H12N2O2

Molecular Weight

168.2 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

Boiling Point

256℃

Density

1.13

Flash Point

109℃

SMILES

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CC1=C(N(N=C1C)C)C(=O)OC

InChI

InChI=1S/C8H12N2O2/c1-5-6(2)9-10(3)7(5)8(11)12-4/h1-4H3

InChIKey

OCUDOHHJNZEDML-UHFFFAOYSA-N

LogP

0.8235399999999999

Topological Polar Surface Area

44.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

184

Synonyms & References

English

Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate
METHYL 2,4,5-TRIMETHYLPYRAZOLE-3-CARBOXYLATE
SCHEMBL729060
773136-70-2
FS-3486
FT-0688428
1H-Pyrazole-5-carboxylic acid, 1,3,4-trimethyl-, methyl ester
1H-Pyrazole-5-carboxylicacid,1,3,4-trimethyl-,methylester(9CI)
MFCD16660980
OCUDOHHJNZEDML-UHFFFAOYSA-N
Methyl1,3,4-trimethyl-1H-pyrazole-5-carboxylate
AM20120591
1,3,4-trimethylpyrazol-5-carboxylic acid methyl ester
AKOS015998840
DTXSID80665313
methyl 2,4,5-trimethylpyrazole-3-carboxylate
AK-37602
ANW-45567
CTK8B4590
MolPort-004-764-291
PubChem23399
SureCN729060

MDL Number

MFCD16660980

FAQ

What are the physical and chemical properties of Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate (CAS: 773136-70-2)?

Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate is a solid with a crystalline form. Its molecular weight is approximately 232.2 g/mol. The compound is only slightly soluble in water but soluble in organic solvents like ethanol and acetone. It exhibits moderate reactivity in acidic conditions and is stable under normal storage conditions.

How is Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate (CAS: 773136-70-2) typically synthesized?

Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate is synthesized via nucleophilic substitution reactions. Common methods involve the reaction of methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate with a suitable reagent, often using a base to activate the electrophilic center. The reaction typically proceeds with high selectivity and yield under mild conditions.

What industries use Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate (CAS: 773136-70-2)?

Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate is used in the pharmaceutical industry for the synthesis of certain drugs. It is also employed in the polymer industry to improve the properties of polymers. Additionally, it has applications in the sensor and semiconductor industries due to its electronic properties.

What precautions should be taken when handling Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate (CAS: 773136-70-2)?

When handling Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. Work should be carried out in a well-ventilated area or fume hood. In case of a spill, immediately clean up using appropriate absorbent materials and follow local safety guidelines. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.