Cas no 67919-80-6 (Carbamic acid, [(1S)-3-diazo-1-methyl-2-oxopropyl]-, 1,1-dimethylethylester)

Carbamic acid, [(1S)-3-diazo-1-methyl-2-oxopropyl]-, 1,1-dimethylethyl ester, is a specialized diazo compound with applications in organic synthesis and pharmaceutical research. Its diazo functionality enables versatile reactivity, particularly in cyclopropanation and C–H insertion reactions, making it valuable for constructing complex molecular frameworks. The tert-butyl ester group enhances stability, facilitating handling and storage. The chiral (1S)-configuration allows for stereoselective transformations, supporting asymmetric synthesis. This compound is particularly useful in medicinal chemistry for the development of bioactive molecules. Careful handling is required due to the potential hazards associated with diazo compounds. Its balanced reactivity and stability make it a practical choice for advanced synthetic applications.
Carbamic acid, [(1S)-3-diazo-1-methyl-2-oxopropyl]-, 1,1-dimethylethylester structure
67919-80-6 structure
Product Name:Carbamic acid, [(1S)-3-diazo-1-methyl-2-oxopropyl]-, 1,1-dimethylethylester
CAS No:67919-80-6
MF:C9H15N3O3
MW:213.233701944351
CID:393936
PubChem ID:56639216
Update Time:2025-05-28

Carbamic acid, [(1S)-3-diazo-1-methyl-2-oxopropyl]-, 1,1-dimethylethylester Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, [(1S)-3-diazo-1-methyl-2-oxopropyl]-, 1,1-dimethylethylester
    • Boc-L-Ala-CHN2
    • N-alpha-t-Butyloxycarbonyl-L-alaninyl-diazomethane, (3S)-3-Boc-amino-1-diazo-2-butanone
    • AKOS030212175
    • 67919-80-6
    • TERT-BUTYL N-[(2S)-4-DIAZO-3-OXOBUTAN-2-YL]CARBAMATE
    • [(S)-3-Diazo-1-methyl-2-oxopropyl]carbamic acid, 1,1-dimethylethyl ester
    • (3S)-3-BOC-AMINO-1-DIAZO-2-BUTANONE
    • (S)-(3-diazo-1-methyl-2-oxopropyl)carbamic acid, 1,1-dimethylethyl ester
    • XPHQCGACMYIDJE-LURJTMIESA-N
    • (3S)-1-Diazo-3-(tert-butoxycarbonylamino)-2-butanone
    • 186521-98-2
    • Inchi： 1S/C9H15N3O3/c1-6(7(13)5-11-10)12-8(14)15-9(2,3)4/h5-6H,1-4H3,(H,12,14)/t6-/m0/s1
    • InChI Key： XPHQCGACMYIDJE-LURJTMIESA-N
    • SMILES： C(=[N+]=[N-])C(=O)[C@@H](NC(=O)OC(C)(C)C)C

Computed Properties

  • Exact Mass: 213.11134135g/mol
  • Monoisotopic Mass: 213.11134135g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 300
  • 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: 1.1
  • Topological Polar Surface Area: 57.4?2

Experimental Properties

  • Melting Point: 102-103 oC

Carbamic acid, [(1S)-3-diazo-1-methyl-2-oxopropyl]-, 1,1-dimethylethylester Pricemore >>

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