2-Propyn-1-yl 1H-imidazole-1-carboxylate

Basic Information

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CAS Number

83395-38-4

Molecular Formula

C7H6N2O2

Molecular Weight

16.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

45-50 °C

SMILES

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C#CCOC(=O)n1ccnc1

InChI

InChI=1S/C7H6N2O2/c1-2-5-11-7(10)9-4-3-8-6-9/h1,3-4,6H,5H2

InChIKey

LLVCOZOEWQQTAV-UHFFFAOYSA-N

LogP

0.6361

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

1H-Imidazole-1-carboxylicacid,2-propynylester(9CI)
prop-2-ynyl imidazole-1-carboxylate
1H-IMIDAZOLE-1-CARBOXYLIC ACID 2-PROPYNYL ESTER
propargyl 1-carbonylimidazole
propargyl 1H-imidazole-1-carboxylate
propargyl 1-imidazolecarboxylate
propargyl ester of carbonylimidazole
1H-Imidazole-1-carboxylic acid, 2-propyn-1-yl ester
Heller-Sarpong Reagent
PImC
Propargyl imidazolecarbamate
Sarpong reagent

MDL Number

MFCD18830798

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 2-Propyn-1-yl 1H-imidazole-1-carboxylate (CAS: 83395-38-4)?

2-Propyn-1-yl 1H-imidazole-1-carboxylate (CAS: 83395-38-4) is a crystalline compound with a molecular weight of approximately 177.21 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetonitrile. This compound is highly reactive and can undergo various reactions such as esterification and condensation. It is important to handle it in a fume hood and use appropriate PPE.

How is 2-Propyn-1-yl 1H-imidazole-1-carboxylate (CAS: 83395-38-4) typically synthesized?

2-Propyn-1-yl 1H-imidazole-1-carboxylate (CAS: 83395-38-4) can be synthesized via a multi-step organic synthesis route involving the reaction of 2-propynylic acid with 1H-imidazole. Common catalysts include sodium hydride and other organo-metallic compounds. The yield is typically around 80-90%, and the method is selective for the desired product. It is important to use appropriate safety measures during the synthesis.

What industries use 2-Propyn-1-yl 1H-imidazole-1-carboxylate (CAS: 83395-38-4)?

2-Propyn-1-yl 1H-imidazole-1-carboxylate (CAS: 83395-38-4) is primarily used in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various drugs and can also be used in the formulation of polymers and as a component in sensor technology. Its applications in semiconductors and other advanced materials are also under investigation.

What precautions should be taken when handling 2-Propyn-1-yl 1H-imidazole-1-carboxylate (CAS: 83395-38-4)?

When handling 2-Propyn-1-yl 1H-imidazole-1-carboxylate (CAS: 83395-38-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, dry place away from direct sunlight and flammable materials. Use a fume hood during manipulation to minimize exposure. In case of a spill, follow the safety data sheet (SDS) guidelines for disposal and clean-up.