Cas no 323578-38-7 (tert-Butyl 6-(Hydroxymethyl)pyridin-3-ylcarbamate)

Tert-Butyl 6-(Hydroxymethyl)pyridin-3-ylcarbamate is a versatile intermediate in organic synthesis, particularly valuable in pharmaceutical and agrochemical applications. Its structure features a hydroxymethyl group and a tert-butoxycarbonyl (Boc)-protected amine, enabling selective functionalization under mild conditions. The Boc group offers stability during synthetic transformations while allowing facile deprotection when required. The hydroxymethyl moiety provides a handle for further derivatization, such as esterification or oxidation. This compound is particularly useful in constructing pyridine-based scaffolds for drug discovery due to its balanced reactivity and compatibility with diverse reaction conditions. Its crystalline nature often facilitates purification, enhancing reproducibility in multistep syntheses.
tert-Butyl 6-(Hydroxymethyl)pyridin-3-ylcarbamate structure
323578-38-7 structure
Product Name:tert-Butyl 6-(Hydroxymethyl)pyridin-3-ylcarbamate
CAS No:323578-38-7
MF:C11H16N2O3
MW:224.256342887878
MDL:MFCD12031249
CID:1450204
PubChem ID:40151875
Update Time:2025-10-29

tert-Butyl 6-(Hydroxymethyl)pyridin-3-ylcarbamate Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, [6-(hydroxymethyl)-3-pyridinyl]-, 1,1-dimethylethyl ester
    • tert-Butyl 6-(Hydroxymethyl)pyridin-3-ylcarbamate
    • tert-butyl N-[6-(hydroxymethyl)pyridin-3-yl]carbamate
    • (6-Hydroxymethyl-pyridin-3-yl)-carbamic acid tert-butyl ester
    • SB79842
    • tert-Butyl (6-(hydroxymethyl)pyridin-3-yl)carbamate
    • AMY27660
    • DS-12631
    • tert-Butyl (6-(hydroxymethyl)pyridin-3 -yl)carbamate
    • DB-299248
    • [5-(Boc-amino)-2-pyridyl]methanol
    • SCHEMBL853159
    • F14249
    • tert-Butyl(6-(hydroxymethyl)pyridin-3-yl)carbamate
    • EN300-295260
    • 3-(Boc-amino)-6-(hydroxymethyl)pyridine
    • N-[6-(HYDROXYMETHYL)-3-PYRIDINYL]-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER
    • tert-Butyl [6-(hydroxymethyl)pyridin-3-yl]carbamate
    • SY260278
    • AKOS015916901
    • (6-Hydroxymethylpyridin-3-yl)carbamic acid tert-butyl ester
    • CS-0112969
    • YMA57838
    • FVXMQFNZAQVKAK-UHFFFAOYSA-N
    • DTXSID10653940
    • A821241
    • MFCD12031249
    • Z1505701671
    • 323578-38-7
    • MDL: MFCD12031249
    • Inchi: 1S/C11H16N2O3/c1-11(2,3)16-10(15)13-8-4-5-9(7-14)12-6-8/h4-6,14H,7H2,1-3H3,(H,13,15)
    • InChI Key: FVXMQFNZAQVKAK-UHFFFAOYSA-N
    • SMILES: O(C(NC1=CN=C(CO)C=C1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 224.11618
  • Monoisotopic Mass: 224.11609238g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 238
  • 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: 0.6
  • Topological Polar Surface Area: 71.4?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 317.6±32.0 °C at 760 mmHg
  • Flash Point: 145.9±25.1 °C
  • PSA: 71.45
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

tert-Butyl 6-(Hydroxymethyl)pyridin-3-ylcarbamate Security Information

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Additional information on tert-Butyl 6-(Hydroxymethyl)pyridin-3-ylcarbamate

tert-Butyl 6-(Hydroxymethyl)pyridin-3-ylcarbamate (CAS No. 323578-38-7): A Comprehensive Overview

In the realm of organic chemistry and pharmaceutical intermediates, tert-Butyl 6-(Hydroxymethyl)pyridin-3-ylcarbamate (CAS No. 323578-38-7) stands out as a versatile compound with significant applications. This article delves into its properties, synthesis, and relevance in modern research, while addressing common queries and trends in the field.

The compound, often referred to by its CAS number 323578-38-7, is a pyridine derivative featuring a hydroxymethyl group and a tert-butyl carbamate moiety. Its molecular structure makes it a valuable building block in medicinal chemistry, particularly in the design of small-molecule inhibitors and bioconjugates. Researchers frequently explore its potential in drug discovery and biochemical assays, aligning with the growing demand for targeted therapies.

One of the key trends in organic synthesis is the emphasis on green chemistry and sustainable methodologies. The synthesis of tert-Butyl 6-(Hydroxymethyl)pyridin-3-ylcarbamate often involves catalytic processes or mild conditions, reducing environmental impact. This aligns with the broader industry shift toward eco-friendly synthesis, a topic frequently searched by professionals and students alike.

Another area of interest is the compound's role in peptide modification and proteomics research. Its hydroxymethyl group allows for facile conjugation with biomolecules, making it a popular choice for bioconjugation strategies. This application is particularly relevant in the development of diagnostic tools and therapeutic agents, addressing the rising need for precision medicine.

From a commercial perspective, CAS 323578-38-7 is available through specialized chemical suppliers, often with high purity grades suitable for research. Quality control and analytical validation are critical considerations, as impurities can affect experimental outcomes. This underscores the importance of sourcing from reputable providers, a common concern among laboratory professionals.

In summary, tert-Butyl 6-(Hydroxymethyl)pyridin-3-ylcarbamate is a compound of growing importance in both academic and industrial settings. Its applications span drug development, bioconjugation, and sustainable chemistry, reflecting the dynamic nature of modern scientific inquiry. By staying attuned to these trends, researchers can leverage its potential to advance innovative solutions in healthcare and beyond.

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