Dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate

Basic Information

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CAS Number

124750-59-0

Molecular Formula

C10H14N2O4

Molecular Weight

226.23 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=NC(=C(N1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C10H14N2O4/c1-4-5-6-11-7(9(13)15-2)8(12-6)10(14)16-3/h4-5H2,1-3H3,(H,11,12)

InChIKey

FGBHVVBYDOTMMD-UHFFFAOYSA-N

LogP

0.9354

Topological Polar Surface Area

81.28000000000002 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

270

Synonyms & References

English

1H-Imidazole-4,5-dicarboxylic acid, 2-propyl-, dimethyl ester
MFCD09743546
2-Propyl-1H-imidazole-4,5-dicarboxylic acid dimethyl ester
FT-0657730
E76022
CS-0152408
DTXSID80570231
2-n-Propyl-4,5-dicarbomethoxyimidazole
SY110720
J-520360
FGBHVVBYDOTMMD-UHFFFAOYSA-N
A805290
2-Propyl-1H-imidazole-4,5-dicarboxylicaciddimethylester
4,5-dicarbomethoxy-2-n-propylimidazole
AS-71868
4,5-DIMETHYL 2-PROPYL-1H-IMIDAZOLE-4,5-DICARBOXYLATE
AKOS015914937
1H-imidazole-4,5-dicarboxylic acid,2-propyl-,dimethyl ester
1H-Imidazole-4,5-dicarboxylic acid, 2-propyl-, 4,5-dimethyl ester
124750-59-0
dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate
2-propyl-4,5-bis(methoxycarbonyl)-imidazole
SCHEMBL784
Dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate
2-PROPYL-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER
1H-Imidazole-4,5-dicarboxylicacid, 2-propyl-, dimethyl ester (9CI)

MDL Number

MFCD09743546

Customs Code

2933290090

FAQ

What are the physical and chemical properties of Dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate (CAS: 124750-59-0)?

Dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate is a white crystalline solid with a molecular weight of 250.29 g/mol. It has low solubility in water but is soluble in common organic solvents such as ethanol and DMSO. Chemically, it is stable but exhibits reactivity under basic conditions. It is often used as a building block in organic synthesis and has potential applications in pharmaceuticals and functional materials.

How is Dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate (CAS: 124750-59-0) typically synthesized?

Dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate is synthesized through a multi-step process involving the formation of an imidazole derivative followed by carboxylation. Common methods include using N,N'-dicyclohexylcarbodiimide (DCC) as a coupling agent, and the use of triethylamine as a base. The reaction yields high purity product with good selectivity and a yield of up to 85%.

What industries use Dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate (CAS: 124750-59-0)?

Dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate is used in various industries. In pharmaceuticals, it serves as a precursor for the synthesis of biologically active compounds. In polymers and functional materials, it can enhance the properties of materials such as conductivity and mechanical strength. Additionally, it has applications in sensors and semiconductors.

What precautions should be taken when handling Dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate (CAS: 124750-59-0)?

When handling Dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up with caution using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for specific spill procedures. Ensure proper storage in a cool, dry place away from direct sunlight and incompatible materials.