Cas no 90365-73-4 ((1S,2S)-2-(Methylamino)-1,2-diphenylethan-1-ol)

(1S,2S)-2-(Methylamino)-1,2-diphenylethan-1-ol structure
90365-73-4 structure
Product Name:(1S,2S)-2-(Methylamino)-1,2-diphenylethan-1-ol
CAS No:90365-73-4
MF:C15H17NO
MW:227.301584005356
CID:5667647
PubChem ID:11042463
Update Time:2023-09-11

(1S,2S)-2-(Methylamino)-1,2-diphenylethan-1-ol Chemical and Physical Properties

Names and Identifiers

    • (1S,2S)-2-(Methylamino)-1,2-diphenylethan-1-ol
    • (1S,2S)-1,2-Diphenyl-2-(methylamino)ethanol
    • 90365-73-4
    • rel-(1R,2R)-2-(Methylamino)-1,2-diphenylethan-1-ol
    • CS-0201432
    • SCHEMBL6915119
    • (1S,2S)-2-(methylamino)-1-phenyl-Benzeneethanol
    • Benzeneethanol, β-(methylamino)-α-phenyl-, (αS,βS)-
    • Inchi: 1S/C15H17NO/c1-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14-17H,1H3/t14-,15-/m0/s1
    • InChI Key: BLDFSDCBQJUWFG-GJZGRUSLSA-N
    • SMILES: O[C@@H](C1C=CC=CC=1)[C@H](C1C=CC=CC=1)NC

Computed Properties

  • Exact Mass: 227.131014166g/mol
  • Monoisotopic Mass: 227.131014166g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 207
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 32.3?2

Experimental Properties

  • Density: 1.096±0.06 g/cm3(Predicted)
  • Boiling Point: 355.5±9.0 °C(Predicted)
  • pka: 13.70±0.20(Predicted)

(1S,2S)-2-(Methylamino)-1,2-diphenylethan-1-ol Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: 1,4-Dioxane ,  Water ;  1 h, 100 °C
Reference
Synthesis of quaternary α-methyl α-amino acids by asymmetric alkylation of pseudoephenamine alaninamide pivaldimine
Hugelshofer, Cedric L.; Mellem, Kevin T.; Myers, Andrew G., Organic Letters, 2013, 15(12), 3134-3137

(1S,2S)-2-(Methylamino)-1,2-diphenylethan-1-ol Raw materials

(1S,2S)-2-(Methylamino)-1,2-diphenylethan-1-ol Preparation Products

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