Cas no 173472-42-9 (Carbamic acid,[(1S)-3-diazo-1-[2-(methylthio)ethyl]-2-oxopropyl]-, 1,1-dimethylethyl ester(9CI))

Carbamic acid,[(1S)-3-diazo-1-[2-(methylthio)ethyl]-2-oxopropyl]-, 1,1-dimethylethyl ester(9CI) structure
173472-42-9 structure
Product Name:Carbamic acid,[(1S)-3-diazo-1-[2-(methylthio)ethyl]-2-oxopropyl]-, 1,1-dimethylethyl ester(9CI)
CAS No:173472-42-9
MF:C11H19N3O3S
MW:273.35186123848
CID:111602
PubChem ID:98617258
Update Time:2025-07-08

Carbamic acid,[(1S)-3-diazo-1-[2-(methylthio)ethyl]-2-oxopropyl]-, 1,1-dimethylethyl ester(9CI) Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid,[(1S)-3-diazo-1-[2-(methylthio)ethyl]-2-oxopropyl]-, 1,1-dimethylethyl ester(9CI)
    • (S)-3-BOC-AMINO-1-DIAZO-5-METHYLTHIO-2-PENTANONE
    • Boc-l-met-chn2
    • N-alpha-t-Butyloxycarbonyl-L-Methioninyl-diazoMethane, (S)-3-Boc-aMino-1-diazo-5-Methylthio-2-pentanone
    • Boc-(S)-Met-CHN2
    • tert-butyl N-{(1S)-3-diazo-1-[2-(methylsulfanyl)ethyl]-2-oxopropyl}carbamate
    • N-ALPHA-TERT-BUTYLOXYCARBONYL-L-METHIONINYL-DIAZOMETHANE
    • tert-butyl N-[(3S)-1-diazo-5-methylsulfanyl-2-oxopentan-3-yl]carbamate
    • 173472-42-9
    • Carbamic acid, N-[(1S)-3-diazo-1-[2-(methylthio)ethyl]-2-oxopropyl]-, 1,1-dimethylethyl ester
    • AKOS030212178
    • Inchi: 1S/C11H19N3O3S/c1-11(2,3)17-10(16)14-8(5-6-18-4)9(15)7-13-12/h7-8H,5-6H2,1-4H3,(H,14,16)/t8-/m0/s1
    • InChI Key: XNGHBTCJCONBSA-QMMMGPOBSA-N
    • SMILES: S(C)CC[C@@H](C(C=[N+]=[N-])=O)NC(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 273.11500
  • Monoisotopic Mass: 273.11471265g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 8
  • Complexity: 346
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 1.7
  • Topological Polar Surface Area: 82.7?2

Experimental Properties

  • Melting Point: 53-55 oC
  • PSA: 118.09000
  • LogP: 1.97446

Carbamic acid,[(1S)-3-diazo-1-[2-(methylthio)ethyl]-2-oxopropyl]-, 1,1-dimethylethyl ester(9CI) Pricemore >>

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Carbamic acid,[(1S)-3-diazo-1-[2-(methylthio)ethyl]-2-oxopropyl]-, 1,1-dimethylethyl ester(9CI) Production Method

Additional information on Carbamic acid,[(1S)-3-diazo-1-[2-(methylthio)ethyl]-2-oxopropyl]-, 1,1-dimethylethyl ester(9CI)

Carbamic Acid, [(1S)-3-Diazo-1-[2-(Methylthio)Ethyl]-2-Oxopropyl], 1,1-Dimethylethyl Ester (9CI)

Carbamic acid, a class of organic compounds, has been a subject of extensive research due to its versatile applications in various fields. The compound in question, [(1S)-3-diazo-1-[2-(methylthio)ethyl]-2-oxopropyl], is a specific derivative that has garnered attention for its unique structural properties and potential uses in drug design and material science. This compound, identified by the CAS number 173472-42-9, represents a significant advancement in the field of organic synthesis.

The structure of this compound is characterized by the presence of a diazo group (3-diazo) attached to a chiral center. The chiral center is part of a propyl chain that includes a methylthio group (2-(methylthio)ethyl) and an oxo group. This configuration not only imparts stereochemical properties but also influences the compound's reactivity and stability. The ester group (1,1-dimethylethyl ester) further enhances its solubility and compatibility with various reaction conditions.

Recent studies have highlighted the potential of this compound in the development of novel therapeutic agents. Its diazo functionality makes it a promising candidate for click chemistry reactions, which are widely used in drug discovery. Additionally, the methylthio group contributes to the compound's bioavailability and stability in physiological environments. Researchers have explored its use as an intermediate in the synthesis of complex molecules with potential anti-inflammatory and anticancer properties.

In terms of synthesis, this compound can be prepared through a multi-step process involving diazotization and subsequent coupling reactions. The stereochemistry at the chiral center is crucial for determining the compound's biological activity. Advanced techniques such as high-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy have been employed to confirm its structure and purity.

The application of this compound extends beyond pharmaceuticals. Its unique properties make it a valuable tool in materials science, particularly in the development of advanced polymers and coatings. The ester group facilitates its incorporation into polymer matrices, enhancing their mechanical and thermal properties. Recent advancements in green chemistry have also led to the exploration of more sustainable methods for synthesizing this compound, reducing its environmental footprint.

From an environmental perspective, understanding the degradation pathways of this compound is essential for assessing its ecological impact. Studies have shown that under specific conditions, it undergoes hydrolysis to yield less complex compounds that are more readily biodegradable. This information is critical for ensuring its safe use and disposal.

In conclusion, Carbamic acid, [(1S)-3-diazo-1-[2-(methylthio)ethyl]-2-oxopropyl], 1,1-dimethylethyl ester (9CI) stands as a testament to the progress in organic synthesis and materials science. Its unique structure and functional groups offer vast opportunities for innovation across multiple disciplines. As research continues to uncover new applications and improve synthetic methods, this compound will undoubtedly play a pivotal role in shaping future advancements in chemistry.

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