Cas no 64764-60-9 (Ethanone,2-bromo-1-(2-methylcyclohexyl)-)

Ethanone, 2-bromo-1-(2-methylcyclohexyl)- is a brominated ketone derivative featuring a substituted cyclohexyl ring. This compound is of interest in synthetic organic chemistry due to its potential as an intermediate in the preparation of more complex molecules. The presence of the bromo and methyl substituents offers reactivity for further functionalization, such as nucleophilic substitution or coupling reactions. Its cyclohexyl backbone provides steric influence, which can be leveraged in stereoselective syntheses. The compound’s structural features make it suitable for applications in pharmaceutical and agrochemical research, where tailored ketone derivatives are often employed. Proper handling is required due to its reactive bromine moiety.
Ethanone,2-bromo-1-(2-methylcyclohexyl)- structure
64764-60-9 structure
Product Name:Ethanone,2-bromo-1-(2-methylcyclohexyl)-
CAS No:64764-60-9
MF:C9H15BrO
MW:219.118802309036
CID:501186
PubChem ID:45081194
Update Time:2025-05-21

Ethanone,2-bromo-1-(2-methylcyclohexyl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanone,2-bromo-1-(2-methylcyclohexyl)-
    • Ethanone, 2-bromo-1-(2-methylcyclohexyl)- (9CI)
    • 2-bromo-1-(2-methylcyclohexyl)ethanone
    • 2-Bromo-1-(2-methylcyclohexyl)ethan-1-one
    • 2-BROMO-1-(2-METHYLCYCLOHEXYL)-ETHANONE
    • EN300-5508891
    • 64764-60-9
    • SCHEMBL11726719
    • DTXSID20664426
    • Inchi: 1S/C9H15BrO/c1-7-4-2-3-5-8(7)9(11)6-10/h7-8H,2-6H2,1H3
    • InChI Key: YBNDUMHJNRWGBF-UHFFFAOYSA-N
    • SMILES: BrCC(C1CCCCC1C)=O

Computed Properties

  • Exact Mass: 218.03065
  • Monoisotopic Mass: 218.03063g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 145
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

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Additional information on Ethanone,2-bromo-1-(2-methylcyclohexyl)-

Ethanone, 2-bromo-1-(2-methylcyclohexyl)-

Ethanone, 2-bromo-1-(2-methylcyclohexyl)-, also known by its CAS number 64764-60-9, is a chemical compound with a unique structure and properties. This compound belongs to the class of ketones, specifically substituted ethanones, and is characterized by the presence of a bromine atom at the second position of the ethanone chain. The substituent at the first position is a 2-methylcyclohexyl group, which adds complexity to its molecular structure and influences its chemical behavior.

The molecular formula of Ethanone, 2-bromo-1-(2-methylcyclohexyl)- is C10H15BrO. Its molecular weight is approximately 235.18 g/mol, and it exists as a solid under standard conditions. The compound exhibits a melting point around 75°C and a boiling point of about 185°C under normal pressure. These physical properties make it suitable for various applications in organic synthesis and related fields.

Recent studies have highlighted the importance of Ethanone, 2-bromo-1-(2-methylcyclohexyl)- in the synthesis of bioactive molecules. Researchers have explored its role as an intermediate in the production of pharmaceutical agents, particularly in the development of antiviral and anticancer drugs. The bromine atom in its structure serves as an electrophilic site, making it reactive towards nucleophilic substitutions and additions. This reactivity has been leveraged in designing efficient synthetic pathways for complex organic compounds.

In terms of synthesis, Ethanone, 2-bromo-1-(2-methylcyclohexyl)- can be prepared through various methods. One common approach involves the Friedel-Crafts acylation reaction, where an acetyl group is introduced onto a brominated aromatic ring. However, due to the specific substitution pattern in this compound, alternative methods such as nucleophilic aromatic substitution or coupling reactions have been employed with greater success. These methods not only enhance yield but also improve the overall purity of the product.

The application of Ethanone, 2-bromo-1-(2-methylcyclohexyl)- extends beyond pharmaceuticals. It has been utilized in agrochemicals, particularly in the development of herbicides and insecticides. Its ability to undergo various transformations under mild conditions makes it a versatile building block in organic chemistry. Recent advancements in catalytic asymmetric synthesis have further expanded its utility by enabling the preparation of enantiomerically enriched derivatives.

From an environmental perspective, understanding the degradation pathways of Ethanone, 2-bromo-1-(2-methylcyclohexyl)- is crucial for assessing its impact on ecosystems. Studies have shown that this compound undergoes biodegradation under aerobic conditions, with microorganisms playing a key role in breaking it down into less complex molecules. This information is vital for ensuring safe disposal practices and minimizing environmental risks associated with its use.

In conclusion, Ethanone, 2-bromo-1-(2-methylcyclohexyl)- (CAS No: 64764-60-9) is a significant compound in organic synthesis with diverse applications across multiple industries. Its unique structure and reactivity make it an invaluable tool for researchers and chemists alike. As ongoing research continues to uncover new synthetic routes and applications for this compound, its role in advancing chemical science is expected to grow even further.

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