Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate

Basic Information

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CAS Number

5744-40-1

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

90°C/5mmHg

Density

1.33

Flash Point

110.3 °C

Refractive Index

1.4790 to 1.4830

SMILES

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CCOC(=O)C1=CC(=NN1C)C

InChI

InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5-6(2)9-10(7)3/h5H,4H2,1-3H3

InChIKey

ZYSGPOXVDOROJU-UHFFFAOYSA-N

LogP

0.90522

Topological Polar Surface Area

44.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

172

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

ETHYL 1,3-DIMETHYLPYRAZOLE-5-CARBOXYLATE
2,5-Dimethyl-2H-pyrazole-3-carboxylic acid ethyl ester
FT-0625827
Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate
J-520507
1H-PYRAZOLE-5-CARBOXYLIC ACID, 1,3-DIMETHYL-, ETHYL ESTER
MFCD00233452
DTXSID90206054
1,3-dimethylpyrazole-5-carboxylic acid ethyl ester
AM85824
CS-W016039
ethyl 2,5-dimethylpyrazole-3-carboxylate
BB 0220504
1,3-Dimethyl-5-pyrazolcarboxylic acid ethyl ester
ethyl 1,3-dimethylpyrazole-5-carboxlate
1,3-dimethyl-5-ethoxycarbonylpyrazole
SY021623
Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate, AldrichCPR
Z796916720
EN300-227911
AS-5385
A8186
ethyl 2,5-dimethyl-2h-pyrazole-3-carboxylate
Ethyl 1,3-dimethyl-5-pyrazole carboxylate
ZYSGPOXVDOROJU-UHFFFAOYSA-N
5744-40-1
F2146-0643
AC-28096
PB15679
AKOS003672896
SCHEMBL1894879

MDL Number

MFCD00233452

Customs Code

2933199090

FAQ

What regulatory guidelines apply to Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate (CAS: 5744-40-1)?

Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate (CAS: 5744-40-1) falls under the purview of various regulatory guidelines including the REACH regulations in Europe, which require manufacturers and importers to register the substance if it is manufactured or imported in quantities of one tonne or more per year. It also complies with GHS (Global Harmonized System of Classification and Labeling of Chemicals) for hazard classification and labeling. In the United States, the FDA may regulate this compound if it is intended for pharmaceutical use, and the EPA may regulate it if it is used in agricultural applications or other industrial processes.

Are there alternatives to Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate (CAS: 5744-40-1) in synthesis?

There are alternatives to Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate (CAS: 5744-40-1) that can be used in synthesis, such as other carboxylic acid derivatives like methyl 1,3-dimethyl-1H-pyrazole-5-carboxylate or ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate. These alternatives may offer similar functionalities and can be chosen based on reactivity, availability, and cost. Additionally, optimizing reaction conditions or using different catalysts can provide alternative routes to the desired product.

What is the market or research trend for Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate (CAS: 5744-40-1)?

The market for Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate (CAS: 5744-40-1) is growing due to its applications in pharmaceuticals, agrochemicals, and fine chemicals. Research trends indicate increasing interest in its use as a precursor for the synthesis of bioactive compounds and as a ligand in transition metal catalysis. The compound's stability and reactivity make it a viable candidate for developing new chemical processes and materials.

How should waste containing Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate (CAS: 5744-40-1) be handled?

Waste containing Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate (CAS: 5744-40-1) should be managed according to local and international hazardous waste regulations. It is advisable to collect the waste in appropriate containers and dispose of it through chemical waste collection services. Professional incineration or chemical treatment followed by landfilling may be necessary, depending on the local regulations and the level of contamination. Always ensure proper personal protective equipment (PPE) is used and follow safety protocols to prevent environmental contamination.