Cas no 141345-08-6 (4-Cyclohexyl-Butyne)

4-Cyclohexyl-Butyne is a specialized alkyne compound featuring a cyclohexyl substituent attached to a butyne backbone. This structure imparts unique reactivity, making it valuable in organic synthesis, particularly in cycloaddition reactions and as a building block for more complex cyclohexyl-containing molecules. Its alkyne functionality allows for selective transformations, such as Sonogashira coupling or hydrogenation, while the cyclohexyl group enhances steric and electronic properties. The compound is typically used in pharmaceutical and materials research due to its ability to introduce rigid, hydrophobic motifs. High purity grades ensure consistent performance in catalytic and stoichiometric applications. Proper handling under inert conditions is recommended due to its potential sensitivity.
4-Cyclohexyl-Butyne structure
4-Cyclohexyl-Butyne structure
Product Name:4-Cyclohexyl-Butyne
CAS No:141345-08-6
MF:C10H16
MW:136.234043121338
CID:101707
PubChem ID:15172911
Update Time:2025-05-27

4-Cyclohexyl-Butyne Chemical and Physical Properties

Names and Identifiers

    • Cyclohexane,3-butyn-1-yl-
    • but-3-ynylcyclohexane
    • (S)-4-cyclohexylbut-1-yn
    • 4-cyclohexyl-1-butyne
    • 4-Cyclohexyl-butyne
    • But-3-inyl-cyclohexan
    • but-3-yn-1-ylcyclohexane
    • but-3-ynyl-cyclohexane
    • Cyclohexane,3-butyn-1-yl
    • 4-cyclohexylbut-1-yne
    • BDGRISORDYVXCC-UHFFFAOYSA-N
    • 4-cyclohexylbutyne
    • 141345-08-6
    • Cyclohexane, 3-butyn-1-yl-
    • A13293
    • DTXSID70569533
    • AKOS006238086
    • EN300-1831950
    • MFCD07369939
    • (3-butynyl)cyclohexane
    • (But-3-yn-1-yl)cyclohexane
    • 4-cyclohexyl-butyne, AldrichCPR
    • AS-37476
    • 4-Cyclohexyl-Butyne
    • MDL: MFCD07369939
    • Inchi: 1S/C10H16/c1-2-3-7-10-8-5-4-6-9-10/h1,10H,3-9H2
    • InChI Key: BDGRISORDYVXCC-UHFFFAOYSA-N
    • SMILES: C1(CCC#C)CCCCC1

Computed Properties

  • Exact Mass: 136.12500
  • Monoisotopic Mass: 136.125200510g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 120
  • 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: 4.1
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Color/Form: NA
  • Density: 0.847
  • Melting Point: Not available
  • Boiling Point: 181°Cat760mmHg
  • Flash Point: 52.5°C
  • Refractive Index: 1.46
  • PSA: 0.00000
  • LogP: 2.98010

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Additional information on 4-Cyclohexyl-Butyne

Comprehensive Guide to 4-Cyclohexyl-Butyne (CAS No. 141345-08-6): Properties, Applications, and Industry Insights

4-Cyclohexyl-Butyne (CAS No. 141345-08-6) is a specialized organic compound gaining traction in pharmaceutical intermediates, material science, and fine chemical synthesis. Its unique alkyne functional group combined with a cyclohexyl moiety offers versatile reactivity, making it valuable for click chemistry and cross-coupling reactions. This article explores its molecular characteristics, industrial relevance, and answers trending queries like "How is 4-Cyclohexyl-Butyne used in drug discovery?" or "What are the safety measures for handling 4-Cyclohexyl-Butyne?".

The compound’s structure features a terminal alkyne group (–C≡CH) attached to a cyclohexyl ring, enabling selective modifications. Researchers highlight its role in Huisgen cycloaddition, a cornerstone of bioorthogonal chemistry, which aligns with the growing demand for bioconjugation techniques in antibody-drug conjugates (ADCs). Recent PubMed studies emphasize its utility in proteomics labeling, addressing the hot topic of "targeted cancer therapies".

In material science, 4-Cyclohexyl-Butyne serves as a precursor for polymeric coatings with enhanced thermal stability. A 2023 ACS Applied Materials study noted its potential in self-healing materials, responding to searches like "smart polymers 2024". Its low volatility and compatibility with green solvents (e.g., cyclopentyl methyl ether) cater to the "sustainable chemistry" trend, a top Google query among chemists.

From a commercial perspective, CAS 141345-08-6 is supplied by major fine chemical vendors under stringent GMP standards. Analytical data (GC purity >98%, NMR-verified) meets the needs of high-throughput screening labs. FAQs such as "Where to buy 4-Cyclohexyl-Butyne?" often lead to platforms like Sigma-Aldrich or TCI Chemicals, where it’s listed alongside analogous alkynes like 1-ethynylcyclohexane.

Ongoing research explores 4-Cyclohexyl-Butyne in metal-organic frameworks (MOFs) for gas storage—a hot topic linked to "carbon capture materials". Its ligand properties in catalysis (e.g., Sonogashira coupling) are also under investigation, per a 2024 Journal of Catalysis report. Safety-wise, non-hazardous classifications (non-GHS) make it preferable over traditional acetylene derivatives.

To optimize SEO, this content integrates keywords like "4-Cyclohexyl-Butyne synthesis", "CAS 141345-08-6 supplier", and "cyclohexyl alkyne applications". The compound’s alignment with trends like "precision medicine" and "advanced material design" ensures relevance. Always consult SDS documentation for lab protocols, as users frequently search "4-Cyclohexyl-Butyne storage conditions".

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