Cas no 130722-95-1 (3-(Benzyloxy)-5-bromopyridine)

3-(Benzyloxy)-5-bromopyridine is a versatile brominated pyridine derivative with a benzyloxy substituent at the 3-position. This compound serves as a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research. The presence of the bromine atom at the 5-position enables further functionalization via cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, while the benzyloxy group offers additional reactivity for selective deprotection or modification. Its high purity and stability make it suitable for demanding synthetic applications. The compound's well-defined structure and reactivity profile facilitate its use in the development of bioactive molecules, including potential drug candidates and specialty chemicals. Its synthetic utility is further enhanced by the orthogonal reactivity of the two functional groups, allowing for sequential transformations.
3-(Benzyloxy)-5-bromopyridine structure
3-(Benzyloxy)-5-bromopyridine structure
Product Name:3-(Benzyloxy)-5-bromopyridine
CAS No:130722-95-1
MF:C12H10BrNO
MW:264.1179022789
MDL:MFCD07375004
CID:102503
PubChem ID:253660558
Update Time:2025-11-01

3-(Benzyloxy)-5-bromopyridine Chemical and Physical Properties

Names and Identifiers

    • 3-Benzyloxy-5-bromopyridine
    • 3-Benzyloxy-5-bromo-pyridine
    • PYRIDINE,3-BROMO-5-(PHENYLMETHOXY)-
    • 3-bromo-5-phenylmethoxypyridine
    • B67304
    • 3-Bromo-5-bezyloxypyridine
    • 5-Benzyloxy-3-broMopyridine
    • 3-(BENZYLOXY)-5-BROMOPYRIDINE
    • C12H10BrNO 3-(BENZYLOXY)-5-BROMOPYRIDINE
    • 3-(Benzyloxy)-5-bromopyridine ,97%
    • AMY2404
    • DTXSID10572283
    • YSHKYZAWTWKQKK-UHFFFAOYSA-N
    • A806137
    • SY005429
    • B4775
    • AC-3559
    • 130722-95-1
    • 5-(benzyloxy)-3-bromo-pyridine
    • CS-W003401
    • DS-15462
    • J-510811
    • EN300-212872
    • AB40925
    • BP-11929
    • Z1206893596
    • 3-(Benzyloxy)-5- bromopyridine
    • FT-0697534
    • MFCD07375004
    • AKOS013526641
    • 5-Bromo-3-(phenylmethoxy)pyridine
    • PYRIDINE, 3-BROMO-5-(PHENYLMETHOXY)-
    • SCHEMBL188660
    • 3-BROMO-5-BENZYLOXYPYRIDINE
    • 3-benzyloxy-5-bromo-pyridine;3-Benzyloxy-5-bromopyridine
    • DB-022285
    • 3-(Benzyloxy)-5-bromopyridine
    • MDL: MFCD07375004
    • Inchi: 1S/C12H10BrNO/c13-11-6-12(8-14-7-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
    • InChI Key: YSHKYZAWTWKQKK-UHFFFAOYSA-N
    • SMILES: BrC1=CN=CC(=C1)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 262.99500
  • Monoisotopic Mass: 262.99458g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 183
  • 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
  • Tautomer Count: nothing
  • XLogP3: 3
  • Topological Polar Surface Area: 22.1?2

Experimental Properties

  • Color/Form: Solid
  • Density: 1.4±0.1 g/cm3
  • Melting Point: 69.0 to 73.0 deg-C
  • Boiling Point: 343.7℃ at 760 mmHg
  • Flash Point: 161.7℃
  • PSA: 22.12000
  • LogP: 3.42310
  • λmax: 290(MeOH)(lit.)

3-(Benzyloxy)-5-bromopyridine Security Information

3-(Benzyloxy)-5-bromopyridine Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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3-(Benzyloxy)-5-bromopyridine Production Method

Additional information on 3-(Benzyloxy)-5-bromopyridine

Comprehensive Overview of 3-(Benzyloxy)-5-bromopyridine (CAS No. 130722-95-1): Properties, Applications, and Industry Insights

3-(Benzyloxy)-5-bromopyridine (CAS No. 130722-95-1) is a specialized organic compound widely utilized in pharmaceutical and agrochemical research. This brominated pyridine derivative features a benzyloxy substituent at the 3-position, making it a valuable intermediate for synthesizing complex molecules. Its molecular formula, C12H10BrNO, and molecular weight of 264.12 g/mol underscore its role in precision chemical reactions. Researchers frequently search for "3-(Benzyloxy)-5-bromopyridine synthesis" or "CAS 130722-95-1 applications," reflecting its relevance in drug discovery and material science.

The compound's unique structure enables diverse functionalization, particularly in cross-coupling reactions like Suzuki-Miyaura or Buchwald-Hartwig animations. Recent trends highlight its use in developing kinase inhibitors and 5-bromopyridine derivatives for oncology research. With the rise of AI-driven drug design, queries such as "3-(Benzyloxy)-5-bromopyridine computational chemistry" have surged, emphasizing its role in virtual screening workflows. The benzyl-protected hydroxyl group also offers stability during multi-step syntheses, a feature often explored in "protective group strategies for pyridines."

From a regulatory perspective, CAS 130722-95-1 complies with standard laboratory safety protocols without classification as hazardous under GHS. Its storage typically requires protection from light and moisture at room temperature. Industry discussions frequently address "scaling up 3-(Benzyloxy)-5-bromopyridine production," particularly for contract manufacturing organizations (CMOs) supplying pharmaceutical innovators. Analytical methods like HPLC (High-Performance Liquid Chromatography) and NMR (Nuclear Magnetic Resonance) are routinely employed for quality control, as evidenced by searches for "130722-95-1 purity analysis."

Environmental considerations are increasingly shaping compound usage. 3-(Benzyloxy)-5-bromopyridine demonstrates moderate biodegradability in OECD 301 tests, prompting research into greener synthetic routes. This aligns with the "sustainable bromopyridine chemistry" trend, where scientists explore catalytic bromination methods to reduce waste. The compound's electron-deficient pyridine ring also makes it a candidate for organic electronics, connecting to searches about "pyridine-based semiconductors."

Market intelligence indicates growing demand for CAS 130722-95-1 in Asia-Pacific biotech hubs, driven by increased outsourcing of preclinical research. Suppliers often highlight its compatibility with automated synthesis platforms, responding to queries about "high-throughput pyridine derivatives." Patent analysis reveals over 20 medicinal chemistry applications since 2020, particularly in antiviral and CNS drug candidates. These developments position 3-(Benzyloxy)-5-bromopyridine as a compound bridging traditional heterocyclic chemistry with modern therapeutic innovation.

For researchers handling this material, proper personal protective equipment (PPE) including nitrile gloves and safety goggles is recommended. While not classified as dangerous goods, its powder form warrants attention to dust control measures. The scientific community continues to investigate "3-(Benzyloxy)-5-bromopyridine crystal structure" to optimize its use in co-crystallization studies, a technique gaining traction in solubility enhancement strategies for poorly soluble APIs (Active Pharmaceutical Ingredients).

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