Cas no 1179509-17-1 (1-(3-Bromophenyl)-2-butanol)

1-(3-Bromophenyl)-2-butanol is a brominated aromatic alcohol with the molecular formula C??H??BrO. This compound features a hydroxyl group at the secondary carbon of the butanol chain and a bromine substituent at the meta position of the phenyl ring, making it a versatile intermediate in organic synthesis. Its structural properties allow for further functionalization, particularly in cross-coupling reactions or as a precursor for pharmaceuticals and fine chemicals. The bromine moiety enhances reactivity in electrophilic substitutions, while the alcohol group provides a handle for derivatization. Suitable for controlled reactions, it offers synthetic flexibility in constructing complex aromatic frameworks under mild conditions.
1-(3-Bromophenyl)-2-butanol structure
1-(3-Bromophenyl)-2-butanol structure
Product Name:1-(3-Bromophenyl)-2-butanol
CAS No:1179509-17-1
MF:C10H13BrO
MW:229.113622426987
MDL:MFCD12153689
CID:5206232
Update Time:2026-03-06

1-(3-Bromophenyl)-2-butanol Chemical and Physical Properties

Names and Identifiers

    • 1-(3-Bromophenyl)-2-butanol
    • 1-(3-bromophenyl)butan-2-ol
    • MDL: MFCD12153689
    • Inchi: 1S/C10H13BrO/c1-2-10(12)7-8-4-3-5-9(11)6-8/h3-6,10,12H,2,7H2,1H3
    • InChI Key: ICJABOJSUKIZED-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)CC(CC)O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 127
  • XLogP3: 3.1
  • Topological Polar Surface Area: 20.2

1-(3-Bromophenyl)-2-butanol Pricemore >>

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Additional information on 1-(3-Bromophenyl)-2-butanol

Comprehensive Overview of 1-(3-Bromophenyl)-2-butanol (CAS No. 1179509-17-1): Properties, Applications, and Industry Insights

1-(3-Bromophenyl)-2-butanol (CAS No. 1179509-17-1) is a specialized organic compound featuring a brominated phenyl group and a secondary alcohol functionality. This structure makes it a valuable intermediate in pharmaceutical synthesis, agrochemical production, and advanced material research. The presence of the 3-bromophenyl moiety enhances its reactivity in cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, which are pivotal in modern drug discovery pipelines.

Recent trends in AI-driven molecular design and green chemistry have amplified interest in compounds like 1-(3-Bromophenyl)-2-butanol. Researchers frequently search for "sustainable synthesis routes for brominated intermediates" or "applications of chiral alcohols in drug development," reflecting industry demands for eco-friendly and stereoselective methodologies. The compound’s chiral center at the 2-butanol position also aligns with the growing focus on enantioselective catalysis, a hot topic in asymmetric synthesis.

From a technical perspective, 1-(3-Bromophenyl)-2-butanol exhibits a molecular weight of 229.12 g/mol and a boiling point of approximately 280°C (predicted). Its lipophilicity (LogP ~2.8) makes it suitable for penetrating biological membranes, a property exploited in prodrug design. Analytical techniques like HPLC and GC-MS are commonly employed for purity verification, with users often querying "HPLC methods for brominated aromatics" or "NMR shifts for 3-bromophenyl derivatives."

The compound’s utility extends to material science, where its aromatic bromine serves as a handle for polymerization or functionalization. Innovations in OLED materials and liquid crystals frequently utilize similar brominated building blocks. Industry forums highlight searches for "bromophenyl monomers for conductive polymers," underscoring its relevance in electronic materials.

Regulatory and safety profiles of 1-(3-Bromophenyl)-2-butanol adhere to standard laboratory handling protocols. While not classified as hazardous under major chemical inventories, proper PPE (gloves, goggles) is recommended during handling. Environmental concerns around brominated compounds have spurred research into biodegradable alternatives, though this remains a niche area for specialized applications.

Market intelligence indicates steady demand for CAS No. 1179509-17-1, particularly from contract research organizations (CROs) and custom synthesis providers. Patent analyses reveal its use in kinase inhibitor scaffolds, with queries like "1-(3-Bromophenyl)-2-butanol in Pfizer patents" gaining traction. The compound’s cost-effectiveness compared to fluorinated analogs further drives adoption.

Future prospects for 1-(3-Bromophenyl)-2-butanol hinge on advancements in catalytic bromination techniques and flow chemistry systems. Emerging search terms like "continuous processing for bromoalcohols" reflect this shift toward scalable manufacturing. As the pharmaceutical industry prioritizes atom-efficient synthesis, this compound’s balanced reactivity and stability position it as a enduring tool for medicinal chemists.

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