ethyl 1-methyl-1H-pyrazole-3-carboxylate

Basic Information

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CAS Number

88529-79-7

Molecular Formula

C7H10N2O2

Molecular Weight

154.17 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

Boiling Point

238.5±13.0 ºC (760 Torr),

Density

1.14±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

98.1±19.8 ºC,

SMILES

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CCOC(=O)C1=NN(C=C1)C

InChI

InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-5-9(2)8-6/h4-5H,3H2,1-2H3

InChIKey

QSICLAHSIQPDMB-UHFFFAOYSA-N

LogP

0.5968

Topological Polar Surface Area

44.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

149

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

Ethyl 1-methyl-1H-pyrazole-3-carboxylate
1H-Pyrazole-3-carboxylicacid,1-methyl-,ethylester(9CI)
ET 1-METHYL-1H-PYRAZOLE-3-CARBOXYLATE
ethyl 1-methylpyrazole-3-carboxylate
1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
1H-Pyrazole-3-carboxylic acid, 1-methyl-, ethyl ester
QSICLAHSIQPDMB-UHFFFAOYSA-N
STL573300
BBL038127
SBB030498
AK135365
R8542
ST51057292
ST2404674
O11735
DS-4975
DTXSID40441978
DB-077871
88529-79-7
ETHYL1-METHYL-1H-PYRAZOLE-3-CARBOXYLATE
SY113968
ethyl 1-methyl-1H-pyrazole-3-carboxylate
MFCD04967314
Z1198164769
EN300-229016
AKOS000305869
CS-0044512
ALBB-022830
SCHEMBL10817921
Ethyl 1-methylpyrazole-3-carboxylate

MDL Number

MFCD04967314

Customs Code

2933199090

FAQ

What are the physical and chemical properties of ethyl 1-methyl-1H-pyrazole-3-carboxylate (CAS: 88529-79-7)?

Ethyl 1-methyl-1H-pyrazole-3-carboxylate (CAS: 88529-79-7) is a solid compound with a crystalline form. Its molecular weight is approximately 182.22 g/mol. The compound is slightly soluble in water and soluble in organic solvents like ethanol and acetone. It is reactive with amine compounds and can form amide bonds under certain conditions. It is stable under normal conditions but should be stored away from moisture and heat to prevent hydrolysis.

How is ethyl 1-methyl-1H-pyrazole-3-carboxylate (CAS: 88529-79-7) typically synthesized?

Ethyl 1-methyl-1H-pyrazole-3-carboxylate (CAS: 88529-79-7) is typically synthesized by reacting ethyl isonicotinate with methylamine. The reaction is catalyzed by an acid, such as sulfuric acid, and proceeds with high selectivity and yield. The product is isolated by recrystallization from an appropriate solvent, and the purity is ensured by HPLC analysis.

What industries use ethyl 1-methyl-1H-pyrazole-3-carboxylate (CAS: 88529-79-7)?

Ethyl 1-methyl-1H-pyrazole-3-carboxylate (CAS: 88529-79-7) is used in the pharmaceutical industry for the synthesis of drugs. It is also utilized in the chemical industry for the development of new materials and in the sensor industry due to its reactivity with amines. Additionally, it finds applications in the semiconductor industry as a precursor in organic synthesis processes.

What precautions should be taken when handling ethyl 1-methyl-1H-pyrazole-3-carboxylate (CAS: 88529-79-7)?

When handling ethyl 1-methyl-1H-pyrazole-3-carboxylate (CAS: 88529-79-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials. In case of skin contact, wash the affected area with soap and water. Refer to the Safety Data Sheet (SDS) for more detailed information on handling and emergency procedures.