Cas no 111955-03-4 ((S)-(1-Methyl-2-oxo-ethyl)carbamic Acid Benzyl Ester)

(S)-(1-Methyl-2-oxo-ethyl)carbamic Acid Benzyl Ester structure
111955-03-4 structure
Product Name:(S)-(1-Methyl-2-oxo-ethyl)carbamic Acid Benzyl Ester
CAS No:111955-03-4
MF:C11H13NO3
MW:207.225823163986
MDL:MFCD09878880
CID:1199682
PubChem ID:11790409
Update Time:2025-04-20

(S)-(1-Methyl-2-oxo-ethyl)carbamic Acid Benzyl Ester Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, [(1S)-1-methyl-2-oxoethyl]-, phenylmethyl ester
    • (S)-(1-Methyl-2-oxo-ethyl)-carbamic acid benzyl ester
    • n-cbz-alaninal
    • AS-47284
    • (1-(S)-methyl-2-oxo-ethyl)-carbamic acid benzyl ester
    • (S)-Benzyl (1-oxopropan-2-yl)carbamate
    • benzyl N-[(2S)-1-oxopropan-2-yl]carbamate
    • SCHEMBL937784
    • DB-278506
    • AKOS024258453
    • 111955-03-4
    • F13079
    • MFCD09878880
    • 82353-55-7
    • (S)-Benzyl(1-oxopropan-2-yl)carbamate
    • XTXJPZGMVKIPHE-VIFPVBQESA-N
    • (S)-benzyl 1-oxopropan-2-ylcarbamate
    • benzyl [(1S)-1-methyl-2-oxoethyl]carbamate
    • (S)-2-(N-Benzyloxycarbonylamino)-propionaldehyde
    • (S)-(1-Methyl-2-oxo-ethyl)carbamic Acid Benzyl Ester
    • MDL： MFCD09878880
    • Inchi： 1S/C11H13NO3/c1-9(7-13)12-11(14)15-8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,12,14)/t9-/m0/s1
    • InChI Key： XTXJPZGMVKIPHE-VIFPVBQESA-N
    • SMILES： O(C(N[C@H](C=O)C)=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 207.08954328g/mol
  • Monoisotopic Mass: 207.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 212
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 55.4?2

(S)-(1-Methyl-2-oxo-ethyl)carbamic Acid Benzyl Ester Pricemore >>

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(S)-(1-Methyl-2-oxo-ethyl)carbamic Acid Benzyl Ester Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: NADP ,  Glycine ,  Semicarbazide ,  p-Toluenesulfonic acid Catalysts: Dehydrogenase, glycerol ,  NADH oxidase ;  24 h, pH 9, 30 °C
Reference
Amino Aldehydes Revisited
Mestrom, Luuk; et al, European Journal of Organic Chemistry, 2017, 2017(47), 7019-7025

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