Cas no 5390-04-5 (pent-4-yn-1-ol)

Pent-4-yn-1-ol (CAS 5390-04-5) is a terminal alkyne alcohol with the molecular formula C5H8O, featuring a hydroxyl group at one end and a triple bond at the fourth carbon position. This compound serves as a versatile intermediate in organic synthesis, particularly in click chemistry applications due to its terminal alkyne functionality, which enables efficient copper-catalyzed azide-alkyne cycloaddition (CuAAC) reactions. Its bifunctional nature allows for further derivatization, making it valuable in pharmaceutical and material science research. The hydroxyl group can be readily modified for esterification or etherification, while the alkyne moiety participates in cross-coupling or polymerization reactions. Its relatively low molecular weight and structural simplicity contribute to high reactivity and ease of purification.
pent-4-yn-1-ol structure
pent-4-yn-1-ol structure
Product Name:pent-4-yn-1-ol
CAS No:5390-04-5
MF:C5H8O
MW:84.1164216995239
MDL:MFCD00002974
CID:45792
PubChem ID:79346
Update Time:2025-07-02

pent-4-yn-1-ol Chemical and Physical Properties

Names and Identifiers

    • 4-Pentyn-1-ol
    • pent-4-yn-1-ol
    • 1-Pentyn-5-ol
    • 4-Pentyne-1-ol
    • 5-carbon acetylenic alcohol
    • 5-hydroxypentyne
    • (3-Hydroxypropyl)acetylene
    • 1-Hydroxy-4-pentyne
    • 5-Hydroxy-1-pentyne
    • NSC 5274
    • Pent-4-yne-1-ol
    • CRWVOXFUXPYTRK-UHFFFAOYSA-N
    • pent-1-yn-5-ol
    • 4-pentynol
    • NSC5274
    • pent-4yn-1-ol
    • 4-pentin-1-ol
    • PubChem2025
    • SBB009119
    • RW2052
    • VZ29657
    • TRA0067585
    • BC210688
    • FS000608
    • AB2000723
    • ST24043
    • NS00032867
    • NSC-5274
    • 390-04-5
    • SY007472
    • A851131
    • P0817
    • J-802147
    • 2PDG6ME2TL
    • F0001-1402
    • AKOS001146172
    • CS-W011358
    • PB43009
    • FT-0619363
    • InChI=1/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H
    • UNII-2PDG6ME2TL
    • EN300-21738
    • 5390-04-5
    • MFCD00002974
    • EINECS 226-383-6
    • DTXSID70202175
    • A829818
    • 4-Pentyn-1-ol, 97%
    • AI3-37253
    • N-Ethylmethylamine
    • DTXCID70124666
    • (3-Hydroxypropyl)acetylene; 1-Hydroxy-4-pentyne; 1-Pentyn-5-ol; 5-Hydroxy-1-pentyne; NSC 5274; Pent-4-yne-1-ol
    • MDL: MFCD00002974
    • Inchi: 1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2
    • InChI Key: CRWVOXFUXPYTRK-UHFFFAOYSA-N
    • SMILES: OCCCC#C
    • BRN: 1736712

Computed Properties

  • Exact Mass: 84.05750
  • Monoisotopic Mass: 84.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 2
  • Complexity: 57.6
  • 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
  • Surface Charge: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.904?g/mL?at 25?°C(lit.)
  • Melting Point: -24.1°C (estimate)
  • Boiling Point: 155°C(lit.)
  • Flash Point: Fahrenheit: 143.6 ° f
    Celsius: 62 ° c
  • Refractive Index: n20/D 1.445(lit.)
  • Water Partition Coefficient: Miscible with water.
  • PSA: 20.23000
  • LogP: 0.39210
  • Solubility: Not determined

pent-4-yn-1-ol Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:1987
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36-S37/39
  • FLUKA BRAND F CODES:10
  • Hazardous Material Identification: Xi
  • HazardClass:Comb liq.
  • PackingGroup:III
  • Storage Condition:Store at room temperature
  • Safety Term:3.2
  • Packing Group:III
  • Risk Phrases:R36/37/38
  • Packing Group:III
  • Hazard Level:3.2

pent-4-yn-1-ol Customs Data

  • HS CODE:2905290000
  • Customs Data:

    China Customs Code:

    2905290000

    Overview:

    2905290000 Other unsaturated monohydric alcohols.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2905290000 unsaturated monohydric alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

pent-4-yn-1-ol Pricemore >>

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pent-4-yn-1-ol Production Method

pent-4-yn-1-ol Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:5390-04-5)4-Pentyn-1-ol
Order Number:sfd3392
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally

Additional information on pent-4-yn-1-ol

Introduction to Pent-4-yn-1-ol (CAS No. 5390-04-5)

Pent-4-yn-1-ol, with the chemical formula C?H?O, is a significant compound in the field of organic chemistry and pharmaceutical research. Its molecular structure features a terminal alkyne group and a primary alcohol functional group, making it a versatile intermediate in synthetic chemistry. This compound has garnered attention due to its potential applications in drug development, material science, and fine chemical synthesis.

The CAS number 5390-04-5 uniquely identifies this substance in scientific literature and industrial applications. As an alkyne derivative, Pent-4-yn-1-ol serves as a valuable building block for constructing more complex molecules. Its reactivity allows for diverse chemical transformations, including nucleophilic additions, metal-catalyzed coupling reactions, and oxidation processes.

In recent years, Pent-4-yn-1-ol has been explored for its role in the synthesis of biologically active compounds. Researchers have leveraged its alkyne functionality to develop novel heterocyclic structures, which are prevalent in many pharmaceuticals. For instance, studies have demonstrated its utility in constructing thiazole and pyridine derivatives known for their antimicrobial and anti-inflammatory properties.

One of the most intriguing aspects of Pent-4-yn-1-ol is its ability to participate in Sonogashira coupling reactions, a palladium-catalyzed process that forms carbon-carbon triple bonds efficiently. This reaction has been instrumental in creating complex organic frameworks used in medicinal chemistry. Additionally, the compound’s alcohol group enables further functionalization via esterification or etherification, expanding its synthetic utility.

Recent advancements in green chemistry have also highlighted the importance of Pent-4-yn-1-ol as a sustainable intermediate. Researchers are investigating methods to optimize its synthesis using catalytic systems that minimize waste and energy consumption. Such efforts align with the broader goal of developing environmentally friendly approaches in chemical manufacturing.

The pharmaceutical industry has shown particular interest in Pent-4-yn-1-ol due to its potential as a precursor for drug candidates. For example, derivatives of this compound have been studied for their role in inhibiting enzymes associated with neurological disorders. The precise structural features of Pent-4-yn-1-ol, including its alkyne and alcohol functionalities, allow for fine-tuning of biological activity through strategic modifications.

Material scientists have also explored Pent-4-yn-1-ol for its contributions to polymer chemistry. Its incorporation into monomers can enhance the mechanical properties of polymers, making them suitable for advanced applications such as coatings and adhesives. The ability to introduce controlled functionalities via reactions like cross-coupling provides designers with greater flexibility in material engineering.

In conclusion, Pent-4-yn-1-ol (CAS No. 5390-04) is a multifaceted compound with broad applications across multiple scientific disciplines. Its unique reactivity and structural features make it indispensable in synthetic organic chemistry, pharmaceutical research, and material science. As research continues to uncover new methodologies and applications, the importance of this compound is likely to grow further.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:5390-04-5)4-Pentyn-1-ol
sfd3392
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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