Ethyl 1-methyl-3-propyl-1H-pyrazole-5-carboxylate

Basic Information

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CAS Number

133261-07-1

Molecular Formula

C10H16N2O2

Molecular Weight

196.25 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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CCCC1=NN(C(=C1)C(=O)OCC)C

InChI

InChI=1S/C10H16N2O2/c1-4-6-8-7-9(12(3)11-8)10(13)14-5-2/h7H,4-6H2,1-3H3

InChIKey

ZPSRHLWRTVNGSM-UHFFFAOYSA-N

LogP

1.5493000000000001

Topological Polar Surface Area

44.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

197

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

CS-0321022
MFCD08459062
ZPSRHLWRTVNGSM-UHFFFAOYSA-N
ETHYL 2-METHYL-5-PROPYLPYRAZOLE-3-CARBOXYLATE
AS-71477
Ethyl 2-methyl-5-propyl-pyrazole-3-carboxylate
ethyl 1-methyl-3-n-propyl-pyrazole-5-carboxylate
2-Methyl-5-propyl-2H-pyrazole-3-carboxylic acid ethyl ester
DTXSID50436436
FT-0746698
SCHEMBL859
1H-Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-, ethyl ester
A806586
J-504930
Ethyl3-propyl-1H-pyrazole-5-carboxylate
1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid ethyl ester
AKOS006291224
Ethyl 1-methyl-3-propyl-1H-pyrazole-5-carboxylate
Ethyl1-methyl-3-propyl-1H-pyrazole-5-carboxylate
1-Methyl-3-n-propylpyrazole-5-carboxylic acid ethyl ester
133261-07-1
F16035
1-Methyl-3-propyl-1H
1-Methyl-3-propyl-1H-pyrazole-5-carboxylic Acid Ethyl Ester
ethyl 2-methyl-5-propylpyrazole-3-carboxylate
2-methyl-5-propyl-2H-pyrazole-3-carboxylic acid ethyl ester
ethyl 1-methyl-3-propyl-5-pyrazolecarboxylate
Ethyl 5-propyl-1H-pyrazole-3-carboxylate
Ethyl 3-propyl-1H-pyrazole-5-carboxylate
1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid ethyl ester ,97%

MDL Number

MFCD08459062

Customs Code

2933199090

FAQ

What are the physical and chemical properties of Ethyl 1-methyl-3-propyl-1H-pyrazole-5-carboxylate (CAS: 133261-07-1)?

Ethyl 1-methyl-3-propyl-1H-pyrazole-5-carboxylate (CAS: 133261-07-1) is a crystalline solid with a molecular weight of approximately 216.26 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound is relatively stable but can react with strong bases. It is typically used in the synthesis of other compounds and pharmaceuticals.

How is Ethyl 1-methyl-3-propyl-1H-pyrazole-5-carboxylate (CAS: 133261-07-1) typically synthesized?

Ethyl 1-methyl-3-propyl-1H-pyrazole-5-carboxylate (CAS: 133261-07-1) is synthesized through a multi-step process involving the reaction of ethyl isopropyl ketone with hydrazine hydrate, followed by acylation. Common catalysts include p-toluenesulfonic acid, and the final product can be isolated via recrystallization. This method provides a yield of about 80%.

What industries use Ethyl 1-methyl-3-propyl-1H-pyrazole-5-carboxylate (CAS: 133261-07-1)?

Ethyl 1-methyl-3-propyl-1H-pyrazole-5-carboxylate (CAS: 133261-07-1) is primarily used in the pharmaceutical industry for the synthesis of various drugs. It is also utilized in the polymer industry for functionalization purposes and in sensor technology for specific chemical detection. Its low toxicity and reactivity make it suitable for these applications.

What precautions should be taken when handling Ethyl 1-methyl-3-propyl-1H-pyrazole-5-carboxylate (CAS: 133261-07-1)?

When handling Ethyl 1-methyl-3-propyl-1H-pyrazole-5-carboxylate (CAS: 133261-07-1), it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and lab coat. Work should be conducted in a fume hood to avoid inhalation. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.