Prop-2-yn-1-yl1H-imidazole-1-carboxylate

Name: Prop-2-yn-1-yl1H-imidazole-1-carboxylate
Brand: Zhengzhou Whchem

CAS：83395-38-4 | Prop-2-yn-1-yl1H-imidazole-1-carboxylate | Whchem

CAS: 83395-38-4

Other Names

1H-Imidazole-1-carboxylic acid, 2-propyn-1-yl ester;1H-Imidazole-1-carboxylicacid,2-propynylester(9CI);PImC;Propargyl 1H-imidazole-1-carboxylate;Propargyl imidazolecarbamate;Propargyl 1H-imidazole-1-carboxylate 95%;prop-2-ynyl imidazole-1-carboxylate;1H-Imidazole-1-carboxylicacid,2-propynylester

Structure - Prop-2-yn-1-yl1H-imidazole-1-carboxylate

Molecular Formula

Purity

>99%

Molecular Weight

150.13 g/mol

EINECS

695-595-2

Structure Available Verified Product

English Name	Prop-2-yn-1-yl1H-imidazole-1-carboxylate
English Synonyms	1H-Imidazole-1-carboxylic acid, 2-propyn-1-yl ester;1H-Imidazole-1-carboxylicacid,2-propynylester(9CI);PImC;Propargyl 1H-imidazole-1-carboxylate;Propargyl imidazolecarbamate;Propargyl 1H-imidazole-1-carboxylate 95%;prop-2-ynyl imidazole-1-carboxylate;1H-Imidazole-1-carboxylicacid,2-propynylester
CAS Number	83395-38-4
Molecular Formula	C7H6N2O2
Molecular Weight	150.13 g/mol
EINECS Number	695-595-2
Related Categories
Mol File	Download MOL File
Structure Image

Property	Value
Melting point	45-50°C
Boiling point	255.5±42.0 °C (Predicted)
Density	1.11±0.1 g/cm³ (Predicted)
Vapor pressure	0.1-1 Pa at 20-40°C
Flash point	>110°C
Storage condition	2-8°C
Form	Solid
Acidity Coefficient (pKa)	3.01±0.10 (Predicted)
Appearance	Off-white to pale yellow solid
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
SMILES	C1N(C(OCC#C)=O)C=CN=1
LogP	0.8-1.03 at 25-30°C and pH 2-8

Prop-2-yn-1-yl1H-imidazole-1-carboxylate (CAS 83395-38-4) is a high-purity fine chemical intermediate widely used in organic synthesis, pharmaceutical R&D, agrochemical manufacturing and specialty chemical applications.

As a professional supplier, Zhengzhou Whchem provides Prop-2-yn-1-yl1H-imidazole-1-carboxylate with >99% purity, COA, structure confirmation and flexible packaging, available from research quantities to commercial scale with global shipping.

Category	Description (English Translation)
Uses & Synthesis Methods Prop-2-yn-1-yl 1H-imidazole-1-carboxylate	Uses & Synthesis Methods Uses: Prop-2-yn-1-yl 1H-imidazole-1-carboxylate is an organic compound containing both an imidazole ring and a propargyl ester group. It is commonly used as a building block in organic synthesis, particularly in the preparation of imidazole-based pharmaceuticals, agrochemicals, and functional materials. The propargyl group allows for further functionalization via click chemistry and other alkyne-based transformations. It also serves as a precursor in the synthesis of various bioactive molecules and enzyme inhibitors. Synthesis Methods: The compound can be synthesized by the reaction of 1H-imidazole-1-carboxylic acid with propargyl alcohol in the presence of a coupling agent such as dicyclohexylcarbodiimide (DCC) or via esterification using propargyl bromide under basic conditions. A typical procedure involves dissolving 1H-imidazole-1-carboxylic acid and propargyl alcohol in an appropriate solvent (e.g., dichloromethane or DMF) with a base (e.g., triethylamine or pyridine) and a coupling reagent. The reaction mixture is stirred at room temperature or with gentle heating until completion. The product is isolated by extraction, purification by column chromatography, and stored at 2-8°C.

Category

Description (English Translation)

Uses & Synthesis Methods

Prop-2-yn-1-yl 1H-imidazole-1-carboxylate

Uses & Synthesis Methods

Uses: Prop-2-yn-1-yl 1H-imidazole-1-carboxylate is an organic compound containing both an imidazole ring and a propargyl ester group. It is commonly used as a building block in organic synthesis, particularly in the preparation of imidazole-based pharmaceuticals, agrochemicals, and functional materials. The propargyl group allows for further functionalization via click chemistry and other alkyne-based transformations. It also serves as a precursor in the synthesis of various bioactive molecules and enzyme inhibitors.

Synthesis Methods: The compound can be synthesized by the reaction of 1H-imidazole-1-carboxylic acid with propargyl alcohol in the presence of a coupling agent such as dicyclohexylcarbodiimide (DCC) or via esterification using propargyl bromide under basic conditions. A typical procedure involves dissolving 1H-imidazole-1-carboxylic acid and propargyl alcohol in an appropriate solvent (e.g., dichloromethane or DMF) with a base (e.g., triethylamine or pyridine) and a coupling reagent. The reaction mixture is stirred at room temperature or with gentle heating until completion. The product is isolated by extraction, purification by column chromatography, and stored at 2-8°C.

Category	Value
Hazard Symbol	Xn
Hazard Codes (R Phrases)	22
WGK Germany	3
Storage Category	11 - Combustible solids
Hazard Classification	Acute Toxicity Category 4 (Oral)

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Prop-2-yn-1-yl1H-imidazole-1-carboxylate

CAS：83395-38-4 | Prop-2-yn-1-yl1H-imidazole-1-carboxylate | Whchem

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