Cas no 914349-05-6 (1-Boc-4-Bromo-3-hydroxymethylindole)

1-Boc-4-Bromo-3-hydroxymethylindole is a protected indole derivative widely used in organic synthesis and pharmaceutical research. The Boc (tert-butoxycarbonyl) group provides stability and selective deprotection capabilities, while the bromo and hydroxymethyl substituents offer versatile reactivity for further functionalization. This compound serves as a key intermediate in the synthesis of complex heterocycles, bioactive molecules, and drug candidates. Its well-defined structure and high purity make it suitable for precise modifications, particularly in medicinal chemistry applications. The presence of both electrophilic (bromo) and nucleophilic (hydroxymethyl) sites allows for diverse transformations, including cross-coupling reactions and derivatization, facilitating efficient scaffold diversification.
1-Boc-4-Bromo-3-hydroxymethylindole structure
914349-05-6 structure
Product Name:1-Boc-4-Bromo-3-hydroxymethylindole
CAS No:914349-05-6
MF:C14H16BrNO3
MW:326.185743331909
MDL:MFCD05864709
CID:796637
PubChem ID:40428531
Update Time:2025-05-21

1-Boc-4-Bromo-3-hydroxymethylindole Chemical and Physical Properties

Names and Identifiers

    • 1-Boc-4-Bromo-3-hydroxymethylindole
    • 1H-Indole-1-carboxylicacid, 4-bromo-3-(hydroxymethyl)-, 1,1-dimethylethyl ester
    • tert-Butyl 4-bromo-3-(hydroxymethyl)-1H-indole-1-carboxylate
    • PS-7029
    • AKOS015837022
    • t-butyl 4-bromo-3-(hydroxymethyl)-1h-indole-1-carboxylate
    • 914349-05-6
    • 1-boc-4-Bromo-3-(hydroxymethyl)indole
    • SCHEMBL22154140
    • FT-0755147
    • CS-0370371
    • MFCD05864709
    • ZINC02563733
    • tert-butyl 4-bromo-3-(hydroxymethyl)indole-1-carboxylate
    • DTXSID30654318
    • DS-0076
    • 1H-Indole-1-carboxylicacid,4-bromo-3-(hydroxymethyl)-,1,1-dimethylethyl ester
    • 4-BROMO-3-HYDROXYMETHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    • 4-Bromo-3-(hydroxymethyl)-1H-indole, N-BOC protected
    • tert-Butyl4-bromo-3-(hydroxymethyl)-1H-indole-1-carboxylate
    • DB-079035
    • MDL： MFCD05864709
    • Inchi： 1S/C14H16BrNO3/c1-14(2,3)19-13(18)16-7-9(8-17)12-10(15)5-4-6-11(12)16/h4-7,17H,8H2,1-3H3
    • InChI Key： QWJQFTZLGZCFNQ-UHFFFAOYSA-N
    • SMILES： BrC1=CC=CC2=C1C(CO)=CN2C(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 325.03136g/mol
  • Monoisotopic Mass: 325.03136g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 342
  • 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: 3.1
  • Topological Polar Surface Area: 51.5?2

Experimental Properties

  • Density: 1.42
  • Boiling Point: 442.1°C at 760 mmHg
  • Flash Point: 221.2°C
  • Refractive Index: 1.585
  • PSA: 51.46000
  • LogP: 3.67930

1-Boc-4-Bromo-3-hydroxymethylindole Pricemore >>

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SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
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Matrix Scientific
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1-Boc-4-Bromo-3-hydroxymethylindole Related Literature

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Additional information on 1-Boc-4-Bromo-3-hydroxymethylindole

1-Boc-4-Bromo-3-hydroxymethylindole (CAS No. 914349-05-6): A Comprehensive Overview

1-Boc-4-Bromo-3-hydroxymethylindole (CAS No. 914349-05-6) is a highly versatile indole derivative that has garnered significant attention in pharmaceutical and organic chemistry research. This compound, characterized by its Boc-protected amine and bromine substitution, serves as a critical intermediate in the synthesis of complex molecules. Its unique structural features make it invaluable for drug discovery, particularly in the development of kinase inhibitors and neuroactive compounds.

The growing interest in 1-Boc-4-Bromo-3-hydroxymethylindole is driven by its role in modern medicinal chemistry. Researchers frequently search for "Boc-protected indole synthesis" or "4-bromoindole applications," highlighting its relevance in small-molecule drug design. The compound's hydroxymethyl group offers additional functionalization opportunities, making it a hotspot for innovations in bioconjugation and targeted therapeutics.

From a chemical perspective, 1-Boc-4-Bromo-3-hydroxymethylindole exhibits remarkable stability under standard laboratory conditions, which simplifies its handling and storage. Its molecular weight and solubility profile are optimized for use in cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings. These properties align with the rising demand for "high-purity indole derivatives" in API manufacturing.

In the context of market trends, the demand for custom indole building blocks like 1-Boc-4-Bromo-3-hydroxymethylindole has surged due to advancements in cancer research and CNS drug development. Pharmaceutical companies increasingly seek "Boc-indole suppliers" to accelerate their R&D pipelines. This compound’s compatibility with parallel synthesis techniques further enhances its appeal for combinatorial chemistry applications.

Environmental and regulatory considerations also play a role in the popularity of 1-Boc-4-Bromo-3-hydroxymethylindole. Unlike some traditional intermediates, it avoids classifications as a hazardous substance, making it a safer choice for green chemistry initiatives. This aligns with the industry’s shift toward "sustainable synthetic routes" and "eco-friendly reagents."

Looking ahead, 1-Boc-4-Bromo-3-hydroxymethylindole is poised to remain a staple in drug discovery due to its structural flexibility and synthetic utility. Its integration into AI-driven molecular design platforms underscores its future potential, as researchers explore "machine learning for indole optimization." With its balanced reactivity and safety profile, this compound exemplifies the intersection of innovation and practical application in modern chemistry.

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