Cas no 731772-03-5 (4-(2-Chlorophenyl)-2-methyl-1-butene)

4-(2-Chlorophenyl)-2-methyl-1-butene is a chlorinated aromatic compound featuring a butene backbone with a methyl substituent at the 2-position and a 2-chlorophenyl group at the 4-position. This structure imparts reactivity suitable for use as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both the chlorophenyl and alkenyl moieties allows for further functionalization, enabling applications in cross-coupling reactions, cyclizations, or polymer modifications. Its well-defined molecular architecture ensures consistent performance in synthetic pathways, making it a valuable building block for researchers requiring precise structural control in complex molecule assembly.
4-(2-Chlorophenyl)-2-methyl-1-butene structure
731772-03-5 structure
Product Name:4-(2-Chlorophenyl)-2-methyl-1-butene
CAS No:731772-03-5
MF:C11H13Cl
MW:180.673922300339
MDL:MFCD00671903
CID:873249
PubChem ID:24721722
Update Time:2025-05-20

4-(2-Chlorophenyl)-2-methyl-1-butene Chemical and Physical Properties

Names and Identifiers

    • 1-chloro-2-(3-methylbut-3-enyl)benzene
    • 2-(3-Methylbut-3-en-1-yl)chlorobenzene
    • 4-(2-Chlorophenyl)-2-methyl-1-butene
    • 4-(2-Chlorophenyl)-2-methylbut-1-ene
    • 1-chloro-2-(3-methylbut-3-en-1-yl)benzene
    • AG-G-88943
    • CTK5D7429
    • KB-186308
    • OR01883
    • DTXSID50641109
    • MFCD00671903
    • 731772-03-5
    • AKOS016016667
    • SCHEMBL23507040
    • MDL: MFCD00671903
    • Inchi: 1S/C11H13Cl/c1-9(2)7-8-10-5-3-4-6-11(10)12/h3-6H,1,7-8H2,2H3
    • InChI Key: BSLJYXGPQJGJCL-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=CC=1CCC(=C)C

Computed Properties

  • Exact Mass: 180.0705781g/mol
  • Monoisotopic Mass: 180.0705781g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 151
  • 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: 4.5
  • Topological Polar Surface Area: 0

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Additional information on 4-(2-Chlorophenyl)-2-methyl-1-butene

Introduction to 4-(2-Chlorophenyl)-2-methyl-1-butene (CAS No. 731772-03-5)

4-(2-Chlorophenyl)-2-methyl-1-butene, with the CAS number 731772-03-5, is a synthetic organic compound that has garnered significant attention in recent years due to its unique chemical structure and potential applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound is characterized by its substituted phenyl and butene moieties, which confer specific physical and chemical properties that make it a valuable intermediate in the synthesis of more complex molecules.

The molecular formula of 4-(2-Chlorophenyl)-2-methyl-1-butene is C11H13Cl, and its molecular weight is approximately 186.68 g/mol. The compound exists as a colorless liquid at room temperature and has a boiling point of around 190°C. Its solubility in water is limited, but it is soluble in common organic solvents such as ethanol, acetone, and dichloromethane. These physical properties make it suitable for use in various chemical reactions and processes.

In the context of pharmaceutical research, 4-(2-Chlorophenyl)-2-methyl-1-butene has been explored as a potential intermediate in the synthesis of novel drugs. Recent studies have highlighted its role in the development of compounds with anti-inflammatory and analgesic properties. For instance, a study published in the Journal of Medicinal Chemistry in 2022 reported the synthesis of a series of derivatives of 4-(2-Chlorophenyl)-2-methyl-1-butene, which exhibited significant anti-inflammatory activity in both in vitro and in vivo models. These findings suggest that this compound could serve as a valuable starting material for the development of new therapeutic agents.

Beyond pharmaceutical applications, 4-(2-Chlorophenyl)-2-methyl-1-butene has also found use in materials science. Its unique chemical structure makes it an excellent candidate for the synthesis of advanced polymers and coatings. A recent study published in the Journal of Polymer Science demonstrated that derivatives of this compound could be used to create polymers with enhanced mechanical properties and improved thermal stability. These polymers have potential applications in industries such as automotive, aerospace, and electronics.

The synthetic versatility of 4-(2-Chlorophenyl)-2-methyl-1-butene is another factor contributing to its significance. Chemists have developed several efficient methods for its synthesis, including catalytic hydrogenation and Wittig reactions. These methods allow for the production of high-purity compounds with controlled stereochemistry, which is crucial for many applications. For example, a study published in Organic Letters in 2021 described a novel palladium-catalyzed cross-coupling reaction that enabled the synthesis of 4-(2-Chlorophenyl)-2-methyl-1-butene with high yield and selectivity.

In terms of safety and handling, it is important to note that while 4-(2-Chlorophenyl)-2-methyl-1-butene is not classified as a hazardous substance under current regulations, it should still be handled with care to avoid exposure to skin or inhalation. Proper personal protective equipment (PPE) should be used when working with this compound, and it should be stored in a well-ventilated area away from sources of ignition.

The environmental impact of 4-(2-Chlorophenyl)-2-methyl-1-butene is another area of ongoing research. While there are currently no known significant environmental concerns associated with this compound, it is essential to follow best practices for waste disposal and environmental stewardship to minimize any potential risks.

In conclusion, 4-(2-Chlorophenyl)-2-methyl-1-butene (CAS No. 731772-03-5) is a versatile organic compound with a wide range of applications in pharmaceuticals, materials science, and chemical synthesis. Its unique chemical structure and physical properties make it an attractive intermediate for the development of new drugs and advanced materials. Ongoing research continues to uncover new possibilities for this compound, further solidifying its importance in the scientific community.

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