Cas no 83395-38-4 (1H-Imidazole-1-carboxylicacid,2-propynylester(9CI))

1H-Imidazole-1-carboxylicacid,2-propynylester(9CI) structure
83395-38-4 structure
Product Name:1H-Imidazole-1-carboxylicacid,2-propynylester(9CI)
CAS No:83395-38-4
MF:C7H6N2O2
MW:150.134741306305
CID:1017178
PubChem ID:329765934
Update Time:2025-07-15

1H-Imidazole-1-carboxylicacid,2-propynylester(9CI) Chemical and Physical Properties

Names and Identifiers

    • 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
    • 1H-Imidazole-1-carboxylic acid, 2-propynyl ester (9CI)
    • Prop-2-yn-1-yl 1H-imidazole-1-carboxylate
    • 2-propyn-1-yl 1H-imidazole-1-carboxylate
    • LLVCOZOEWQQTAV-UHFFFAOYSA-N
    • DTXSID70607924
    • Prop-2-yn-1-yl1H-imidazole-1-carboxylate
    • 83395-38-4
    • ZB1717
    • F82888
    • PROP-2-YN-1-YL IMIDAZOLE-1-CARBOXYLATE
    • CS-0169601
    • MFCD18830798
    • Propargyl 1H-imidazole-1-carboxylate, 95%
    • SCHEMBL10977799
    • MDL: MFCD18830798
    • Inchi: 1S/C7H6N2O2/c1-2-5-11-7(10)9-4-3-8-6-9/h1,3-4,6H,5H2
    • InChI Key: LLVCOZOEWQQTAV-UHFFFAOYSA-N
    • SMILES: O=C(N1C=CN=C1)OCC#C

Computed Properties

  • Exact Mass: 150.04300
  • Monoisotopic Mass: 150.042927438g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 194
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • Melting Point: 45-50?°C
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • PSA: 44.12000
  • LogP: 0.50100

1H-Imidazole-1-carboxylicacid,2-propynylester(9CI) Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn
  • Storage Condition:2-8°C

1H-Imidazole-1-carboxylicacid,2-propynylester(9CI) Customs Data

  • HS CODE:2933290090
  • Customs Data:

    China Customs Code:

    2933290090

    Overview:

    2933290090. Other compounds with non fused imidazole ring in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1H-Imidazole-1-carboxylicacid,2-propynylester(9CI) Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Dichloromethane ;  1 h, -10 °C; -10 °C → rt; 2 h, rt
Reference
Facile Synthesis of β-Cyclodextrin-Dextran Polymers by "Click" Chemistry
Nielsen, Thorbjorn Terndrup; et al, Biomacromolecules, 2010, 11(7), 1710-1715

Production Method 2

Reaction Conditions
1.1 Solvents: Dichloromethane ;  2 h, rt
Reference
Functionalization of polyfluorene-wrapped carbon nanotubes using thermally cleavable side-chains
Ritaine, Dialia; et al, Journal of Polymer Science (Hoboken, 2022, 60(23), 3199-3211

Production Method 3

Reaction Conditions
1.1 Solvents: Dichloromethane ;  0 °C; 1 h, 0 °C; 16 h, rt
Reference
Chemoselective esterification and amidation of carboxylic acids with imidazole carbamates and ureas
Heller, Stephen T.; et al, Organic Letters, 2010, 12(20), 4572-4575

1H-Imidazole-1-carboxylicacid,2-propynylester(9CI) Raw materials

1H-Imidazole-1-carboxylicacid,2-propynylester(9CI) Preparation Products

Additional information on 1H-Imidazole-1-carboxylicacid,2-propynylester(9CI)

Comprehensive Overview of 1H-Imidazole-1-carboxylic acid, 2-propynyl ester (9CI) (CAS No. 83395-38-4)

1H-Imidazole-1-carboxylic acid, 2-propynyl ester (9CI), with the CAS number 83395-38-4, is a specialized organic compound that has garnered significant attention in the fields of medicinal chemistry and material science. This compound, characterized by its unique imidazole core and propynyl ester functional group, serves as a versatile building block in synthetic applications. Researchers and industry professionals frequently search for terms like "imidazole derivatives," "propynyl ester applications," and "CAS 83395-38-4 uses," reflecting its relevance in modern scientific inquiries.

The molecular structure of 1H-Imidazole-1-carboxylic acid, 2-propynyl ester combines the reactivity of an imidazole ring with the alkyne functionality of a propynyl group. This dual reactivity makes it a valuable intermediate in the synthesis of more complex molecules, particularly in pharmaceutical research. Recent trends in green chemistry and sustainable synthesis have further highlighted the importance of such intermediates, as they often enable more efficient and environmentally friendly reaction pathways. Searches for "sustainable imidazole synthesis" and "green chemistry intermediates" align closely with the applications of this compound.

In the context of drug discovery, 1H-Imidazole-1-carboxylic acid, 2-propynyl ester is often explored for its potential in creating bioactive molecules. The imidazole moiety is a common feature in many FDA-approved drugs, particularly those targeting enzyme inhibition and receptor modulation. This has led to increased interest in queries such as "imidazole-based drug design" and "propynyl ester in medicinal chemistry." The compound's ability to participate in click chemistry reactions, a popular topic in bioconjugation and material science, further enhances its utility.

From a material science perspective, the alkyne group in 1H-Imidazole-1-carboxylic acid, 2-propynyl ester allows for facile incorporation into polymers and other advanced materials. This has spurred interest in searches like "imidazole polymers" and "alkyne-functionalized materials." The compound's potential in creating conductive polymers or self-healing materials is particularly noteworthy, as these areas are at the forefront of nanotechnology research.

The synthesis and handling of 1H-Imidazole-1-carboxylic acid, 2-propynyl ester require careful consideration of its physicochemical properties. Its solubility, stability, and reactivity profile are frequently searched topics, often under terms like "CAS 83395-38-4 solubility" or "imidazole ester stability." Understanding these properties is crucial for optimizing its use in various applications, from catalysis to biomaterial engineering.

In summary, 1H-Imidazole-1-carboxylic acid, 2-propynyl ester (9CI) (CAS No. 83395-38-4) represents a multifaceted compound with broad applicability across scientific disciplines. Its integration into cutting-edge research areas such as drug development, green chemistry, and advanced materials underscores its importance. As interest in imidazole chemistry and alkyne-based reactions continues to grow, this compound is poised to remain a focal point in both academic and industrial settings.

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