Methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate

Basic Information

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CAS Number

105020-39-1

Molecular Formula

C5H7N3O2

Molecular Weight

141.13 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

246.1±32.0℃ at 760 mmHg

Refractive Index

1.57

SMILES

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CN1N=CC(=N1)C(=O)OC

InChI

InChI=1S/C5H7N3O2/c1-8-6-3-4(7-8)5(9)10-2/h3H,1-2H3

InChIKey

DHEGGJDFEGULIC-UHFFFAOYSA-N

LogP

-0.3983000000000003

Topological Polar Surface Area

57.01 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

139

Synonyms & References

English

METHYL 2-METHYL-1,2,3-TRIAZOLE-4-CARBOXYLATE
SY008375
MFCD16495898
SCHEMBL864815
DTXSID10547678
methyl 2-methyltriazole-4-carboxylate
2H-1,2,3-Triazole-4-carboxylic acid, 2-methyl-, methyl ester
FT-0744809
Methyl2-Methyl-1,2,3-triazole-4-carboxylate
DHEGGJDFEGULIC-UHFFFAOYSA-N
2-methyl 2H-1,2,3-triazole-4-carboxylic acid methyl ester
Methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate
CS-0129792
Methyl 2-Methyl-1 pound not2 pound not3-triazole-4-carboxylate
2H-1,2,3-Triazole-4-carboxylicacid,2-methyl-,methylester(9CI)
AKOS016000180
AS-31763
105020-39-1
2H-1,2,3-Triazole-4-carboxylicacid, 2-methyl-, methyl ester
2-methyl-2H-1,2,3-Triazole-4-carboxylic acid methyl ester
Methyl 2-Methyl-1,2,3-triazole-4-carboxylate
PubChem19254
1175AA
TRA0043821

MDL Number

MFCD16495898

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate (CAS: 105020-39-1)?

Methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate (CAS: 105020-39-1) is a crystalline compound with a molecular weight of approximately 163.16 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and ethanol. Chemically, it is reactive towards nucleophiles and can participate in condensation reactions. It is slightly basic and stable under normal conditions, but care should be taken during synthesis and storage to avoid exposure to strong acids or bases.

How is methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate (CAS: 105020-39-1) typically synthesized?

Methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate (CAS: 105020-39-1) can be synthesized via the reaction of 2-methyl-1,2,3-triazole-4-carboxylic acid with methyl alcohol in the presence of a base like sodium hydroxide or potassium hydroxide. The reaction is typically conducted under mild conditions to ensure high selectivity and yield. The product is usually purified by recrystallization or column chromatography.

What industries use methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate (CAS: 105020-39-1)?

Methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate (CAS: 105020-39-1) is used in the pharmaceutical industry for the synthesis of certain drugs, and in the polymer industry for the modification of polymer properties. It also finds applications in the development of sensors and semiconductors due to its unique chemical structure and reactivity.

What precautions should be taken when handling methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate (CAS: 105020-39-1)?

When handling methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate (CAS: 105020-39-1), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Handle in a well-ventilated area or 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 Material Safety Data Sheet (MSDS) for detailed safety information.