Cas no 3404-72-6 (2,3-Dimethyl-1-pentene)

2,3-Dimethyl-1-pentene is a branched-chain alkene with the molecular formula C?H??. This unsaturated hydrocarbon features a double bond at the first carbon position and methyl groups at the second and third carbons, contributing to its distinct reactivity. It is commonly used as an intermediate in organic synthesis, particularly in the production of specialty chemicals, polymers, and fragrances. The compound's structure enhances its utility in alkylation and polymerization reactions, offering controlled reactivity for tailored chemical processes. Its well-defined molecular configuration ensures consistent performance in research and industrial applications. Proper handling under inert conditions is recommended due to its flammability and sensitivity to oxidation.
2,3-Dimethyl-1-pentene structure
2,3-Dimethyl-1-pentene structure
Product Name:2,3-Dimethyl-1-pentene
CAS No:3404-72-6
MF:C7H14
MW:98.186062335968
MDL:MFCD00027075
CID:316859
PubChem ID:87567786
Update Time:2025-11-01

2,3-Dimethyl-1-pentene Chemical and Physical Properties

Names and Identifiers

    • 1-Pentene,2,3-dimethyl-
    • 2,3-Dimethyl-1-pentene
    • 2,3-dimethylpent-1-ene
    • 1-Pentene,2,3-dimethyl
    • 2,3-Dimethyl-pent-1-en
    • 2,3-dimethyl-pent-1-ene
    • 2,3-Dimethyl-1-pentene, >=97.0% (GC)
    • EINECS 222-285-2
    • DTXSID10863168
    • NSC74134
    • 1-Pentene, 2,3-dimethyl-
    • MFCD00027075
    • T70795
    • 3404-72-6
    • NSC 74134
    • AKOS009157235
    • D1248
    • J-019437
    • LIMAEKMEXJTSNI-UHFFFAOYSA-N
    • NSC-74134
    • NS00048105
    • MDL: MFCD00027075
    • Inchi: 1S/C7H14/c1-5-7(4)6(2)3/h7H,2,5H2,1,3-4H3
    • InChI Key: LIMAEKMEXJTSNI-UHFFFAOYSA-N
    • SMILES: C(C)(C(=C)C)CC

Computed Properties

  • Exact Mass: 98.10960
  • Monoisotopic Mass: 98.10955
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 62.4
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.4
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.707?g/mL?at 20?°C
  • Melting Point: -134.3°C
  • Boiling Point: 84°C
  • Flash Point: Fahrenheit: 1.4 ° f < br / > Celsius: -17 ° C < br / >
  • Refractive Index: n20/D 1.403
  • PSA: 0.00000
  • LogP: 2.60860
  • Solubility: Not determined
  • Vapor Pressure: 78.8±0.1 mmHg at 25°C

2,3-Dimethyl-1-pentene Security Information

2,3-Dimethyl-1-pentene Customs Data

  • HS CODE:2901299090
  • Customs Data:

    China Customs Code:

    2901299090

    Overview:

    2901299090 Other unsaturated acyclic hydrocarbons.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:2.0%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The volume of packaging container used as gaseous fuel shall be reported, Bulk cargo shall be reported

    Summary:

    2901299090 unsaturated acyclic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

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2,3-Dimethyl-1-pentene Related Literature

Additional information on 2,3-Dimethyl-1-pentene

Comprehensive Overview of 2,3-Dimethyl-1-pentene (CAS No. 3404-72-6)

2,3-Dimethyl-1-pentene, with the Chemical Abstracts Service (CAS) number 3404-72-6, is a significant compound in the field of organic chemistry and pharmaceutical research. This compound is a colorless liquid with a characteristic odor and is primarily used as an intermediate in the synthesis of various chemicals and pharmaceuticals. Its unique structure and properties make it a valuable component in the development of novel drugs and materials.

The molecular formula of 2,3-Dimethyl-1-pentene is C7H14, and its molecular weight is approximately 98.18 g/mol. The compound consists of a seven-carbon chain with double bonds at the first and second positions, and methyl groups attached to the second and third carbon atoms. This structural arrangement imparts specific chemical reactivity and physical properties that are crucial for its applications in various industries.

In terms of physical properties, 2,3-Dimethyl-1-pentene has a boiling point of around 99°C at standard atmospheric pressure. It is slightly soluble in water but highly soluble in organic solvents such as ethanol, acetone, and diethyl ether. These solubility characteristics make it suitable for use in a wide range of chemical reactions and processes.

The chemical reactivity of 2,3-Dimethyl-1-pentene is another key aspect that contributes to its importance. It can undergo various reactions, including hydrogenation, halogenation, and polymerization. For instance, hydrogenation can convert it into 2,3-dimethylpentane, which has different applications in the petrochemical industry. Halogenation reactions can produce halogenated derivatives that are useful in the synthesis of pharmaceuticals and agrochemicals.

In the context of pharmaceutical research, 2,3-Dimethyl-1-pentene has been explored for its potential as a precursor in the synthesis of bioactive compounds. Recent studies have shown that certain derivatives of this compound exhibit promising biological activities, such as antimicrobial and anti-inflammatory properties. For example, a study published in the Journal of Medicinal Chemistry reported that a series of 2,3-dimethylpentenyl derivatives demonstrated significant inhibitory effects on bacterial growth, making them potential candidates for new antibiotics.

Beyond its direct applications in drug synthesis, 2,3-Dimethyl-1-pentene also plays a role in the development of advanced materials. Its ability to undergo polymerization reactions makes it useful in the production of polymers with unique properties. These polymers can be tailored for specific applications in fields such as biomedical engineering and materials science. For instance, researchers at the University of California have developed biodegradable polymers derived from 2,3-dimethylpentenyl monomers that show promise in tissue engineering and drug delivery systems.

The environmental impact of 2,3-Dimethyl-1-pentene is another area of interest. While it is generally considered to have low toxicity and environmental impact when used properly, proper handling and disposal practices are essential to minimize any potential risks. Regulatory bodies such as the Environmental Protection Agency (EPA) provide guidelines for the safe use and disposal of this compound to ensure environmental protection.

In conclusion, 2,3-Dimethyl-1-pentene (CAS No. 3404-72-6) is a versatile compound with significant applications in organic chemistry, pharmaceutical research, and materials science. Its unique structure and properties make it an important intermediate in various chemical processes and a valuable component in the development of novel drugs and materials. Ongoing research continues to uncover new potential uses for this compound, further highlighting its importance in modern scientific endeavors.

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