Cas no 181646-38-8 (tert-Butyl 2-Methyl-4-oxobutan-2-ylcarbamate)

Tert-Butyl 2-Methyl-4-oxobutan-2-ylcarbamate is a specialized carbamate derivative used in organic synthesis and pharmaceutical research. Its key structural features include a tert-butyloxycarbonyl (Boc) protecting group and a ketone functionality, making it valuable for selective amine protection and subsequent deprotection under mild acidic conditions. The compound's stability and reactivity profile facilitate its use in peptide synthesis and intermediate preparation for bioactive molecules. Its well-defined purity and consistent performance ensure reliable results in complex synthetic pathways. The presence of both protected amine and carbonyl groups offers versatility in multi-step transformations, supporting applications in medicinal chemistry and drug development.
tert-Butyl 2-Methyl-4-oxobutan-2-ylcarbamate structure
181646-38-8 structure
Product Name:tert-Butyl 2-Methyl-4-oxobutan-2-ylcarbamate
CAS No:181646-38-8
MF:C10H19NO3
MW:201.262763261795
MDL:MFCD24465551
CID:876129
PubChem ID:11788901
Update Time:2025-05-23

tert-Butyl 2-Methyl-4-oxobutan-2-ylcarbamate Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, (1,1-dimethyl-3-oxopropyl)-, 1,1-dimethylethyl ester (9CI)
    • tert-butyl 2-methyl-4-oxobutan-2-ylcarbamate
    • tert-butylN-(2-methyl-4-oxobutan-2-yl)carbamate
    • 3-(tert-butoxycarbonylamino)-3-methylbutanal
    • DB-344167
    • SCHEMBL74865
    • MFCD24465551
    • tert-butyl(1,1-dimethyl-3-oxopropyl)carbamate
    • tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate
    • 181646-38-8
    • tert-Butyl (2-methyl-4-oxobutan-2-yl)carbamate
    • tert-Butyl(2-methyl-4-oxobutan-2-yl)carbamate
    • tert-butyl(1,1-dimethyl-3-oxo-propyl)-carbamate
    • (1,1-Dimethyl-3-oxo-propyl)-carbamic acid tert-butyl ester
    • EN300-207036
    • F78537
    • tert-butyl (1,1-dimethyl-3-oxo-propyl)-carbamate
    • tert-butyl (1,1-dimethyl-3-oxopropyl)carbamate
    • VNOWIHHJPAJYHL-UHFFFAOYSA-N
    • tert-Butyl 2-Methyl-4-oxobutan-2-ylcarbamate
    • MDL: MFCD24465551
    • Inchi: 1S/C10H19NO3/c1-9(2,3)14-8(13)11-10(4,5)6-7-12/h7H,6H2,1-5H3,(H,11,13)
    • InChI Key: VNOWIHHJPAJYHL-UHFFFAOYSA-N
    • SMILES: O(C(NC(C)(C)CC=O)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 201.13657
  • Monoisotopic Mass: 201.13649347g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 216
  • 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: 1
  • Topological Polar Surface Area: 55.4?2

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 290.6±23.0 °C at 760 mmHg
  • Flash Point: 129.6±22.6 °C
  • PSA: 55.4
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

tert-Butyl 2-Methyl-4-oxobutan-2-ylcarbamate Security Information

tert-Butyl 2-Methyl-4-oxobutan-2-ylcarbamate Pricemore >>

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Additional information on tert-Butyl 2-Methyl-4-oxobutan-2-ylcarbamate

tert-Butyl 2-Methyl-4-Oxobutan-2-Ylcarbamate (CAS No: 181646-38-8)

tert-Butyl 2-Methyl-4-Oxobutan-2-Ylcarbamate, also known by its CAS number 181646-38-8, is a versatile organic compound with significant applications in the fields of chemistry, pharmacology, and materials science. This compound has garnered attention due to its unique structural properties and potential for use in advanced chemical synthesis and drug delivery systems.

The molecular structure of tert-butyl 2-methyl-4-oxobutan-2-ylcarbamate consists of a carbamate group attached to a tert-butyl moiety, which is further connected to a substituted butanone ring. This configuration imparts the compound with both hydrophilic and hydrophobic characteristics, making it suitable for various chemical reactions and applications. The presence of the tert-butyl group also enhances the compound's stability under certain reaction conditions, which is advantageous in large-scale synthesis processes.

Recent studies have highlighted the potential of tert-butyl 2-methyl-4-oxobutan-2-ylcarbamate as a precursor in the synthesis of bioactive molecules. Researchers have explored its role in the development of novel antibiotics and anti-inflammatory agents, where its structural flexibility allows for the incorporation of diverse functional groups. Additionally, the compound has been investigated for its ability to act as a protecting group in peptide synthesis, where it can stabilize reactive intermediates during complex reaction sequences.

In terms of industrial applications, tert-butyl 2-methyl-4-oxobutan-2-Ylcarbamate has found utility in the formulation of advanced polymers and coatings. Its unique combination of reactivity and stability makes it an ideal candidate for use in high-performance materials that require resistance to environmental factors such as UV radiation and temperature fluctuations. Furthermore, ongoing research is exploring its potential as a component in biodegradable plastics, aligning with global efforts to develop sustainable materials.

The synthesis of tert-butyl 2-methyl-4-Oxobutan-2-Ylcarbamate typically involves multi-step organic reactions, often incorporating techniques such as nucleophilic substitution and condensation reactions. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly production processes, reducing the overall carbon footprint associated with its manufacture.

In conclusion, tert-butyl 2-methyl-4-Oxobutan-2-Ylcarbamate (CAS No: 181646-38-8) is a multifaceted compound with a wide range of applications across various scientific disciplines. Its structural properties, combined with recent research advancements, position it as a key player in the development of innovative chemical products and therapies. As research continues to uncover new potentials for this compound, its role in shaping future scientific breakthroughs is likely to expand further.

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