Cas no 90-81-3 (Benzenemethanol, a-[(1R)-1-(methylamino)ethyl]-, (aS)-rel-)

Benzenemethanol, a-[(1R)-1-(methylamino)ethyl]-, (aS)-rel- structure
90-81-3 structure
Product Name:Benzenemethanol, a-[(1R)-1-(methylamino)ethyl]-, (aS)-rel-
CAS No:90-81-3
MF:C10H15NO
MW:165.232202768326
CID:808034
PubChem ID:9457
Update Time:2025-04-19

Benzenemethanol, a-[(1R)-1-(methylamino)ethyl]-, (aS)-rel- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol, a-[(1R)-1-(methylamino)ethyl]-, (aS)-rel-
    • (+/-)-Ephedrine
    • Ephedrine
    • 2-(METHYLAMINO)-1-PHENYL-1-PROPANOL
    • DL-EPHEDRINE
    • Pseudoephedrine
    • BENZENEMETHANOL, .ALPHA.-(1-(METHYLAMINO)ETHYL)-, (R*,S*)-(+/-)-
    • BRN 4231286
    • NIOSH/KB0650000
    • (+)-Ephedrin
    • (+)-erythro-ephedrine
    • Benzenemethanol, .alpha.-[(1R)-1-(methylamino)ethyl]-, (.alpha.S)-rel-
    • Symptom 2 (Salt/Mix)
    • Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (R*,S*)-(+-)-
    • CHEMBL2110656
    • 2-Methylamino-1-phenylpropan-1-ol
    • .alpha.-[(1S)-1-(Methylamino)ethyl]benzenemethanol, (.alpha.S)-
    • .psi.-Ephedrine
    • (1s,2r)-(-)-ephedrine
    • (+)-(1s,2r)-ephedrine
    • 4-13-00-01881 (Beilstein Handbook Reference)
    • UNII-72087NSY56
    • Ephedrine DL-form
    • Benzenemethanol, .alpha.-[1-(methylamino)ethyl]-, [S-(R*,R*)]-
    • (1S,2R)-Ephedrine
    • (+-)-Ephedrine
    • (1R,2S)-(-)-ephedrine
    • EPHEDRINE, (+-)-
    • 321-98-2
    • L-(+)-Ephedrine
    • racephedrine
    • Sinufed (Salt/Mix)
    • .psi.-Ephedrin
    • RACEPHEDRINE [WHO-DD]
    • DTXSID60889333
    • PDSP2_001331
    • EPHEDRINE, (+)-
    • (R*,S*)-(+-)-alpha-(1-(Methylamino)ethyl)benzyl alcohol
    • HY-B0980A
    • ( inverted exclamation markA)-Ephedrine
    • BENZENEMETHANOL, .ALPHA.-((1R)-1-(METHYLAMINO)ETHYL)-, (.ALPHA.S)-REL-
    • [S-(R*,R*)]-.alpha.-[1-(methylamino)ethyl]benzenemethanol
    • (1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
    • UNII-03VRY66076
    • Benzenemethanol, .alpha.-[(1R)-1-(methylamino)ethyl]-, (.alpha.S)-
    • Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (S-(R*,S*))-
    • Benzenemethanol, alpha-((1R)-1-(methylamino)ethyl)-, (alphaS)-rel-
    • DTXSID20891194
    • KB06500000
    • L(+)-.psi.-Ephedrine
    • 90-81-3
    • Q22330463
    • .psi.-Ephedrine, (+)-
    • EINECS 202-017-0
    • 03VRY66076
    • Novafed (Salt/Mix)
    • (+)-Ephedrine
    • PDSP1_001345
    • .alpha.-((1S)-1-(Methylamino)ethyl)benzyl alcohol, (.alpha.S)-
    • CS-4471
    • BRN 3197916
    • Tussaphed (Salt/Mix)
    • D-(-)-Ephedrine
    • d-Ephedrine
    • D-.psi.-Ephedrine
    • SCHEMBL420779
    • 72087NSY56
    • alpha-(1-(Methylaminoethyl)benzenemethanol, (S-(R*,S*)-
    • AKOS027326694
    • 2-(Methylamino)-1-phenyl-1-propanol, d-.psi.- #
    • Benzenemethanol, alpha-((1R)-1-(methylamino)ethyl)-, (alphaS)-
    • RACEPHEDRINE [INN]
    • PDSP2_001329
    • Ephedrine, D-(-)-
    • (+)-Ephedrine anhydrous
    • Racephedrine [INN:BAN]
    • EINECS 206-293-3
    • BENZENEMETHANOL, .ALPHA.-(1-(METHYLAMINO)ETHYL)-, (S-(R*,S*))-
    • EPHEDRINE DL-FORM [MI]
    • Inchi： 1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m1/s1
    • InChI Key： KWGRBVOPPLSCSI-PSASIEDQSA-N
    • SMILES： O[C@@H](C1C=CC=CC=1)[C@@H](C)NC

Computed Properties

  • Exact Mass: 165.11500
  • Monoisotopic Mass: 165.115364
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 121
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 32.3

Experimental Properties

  • Density: 1.1220
  • Melting Point: 75°
  • Boiling Point: 293.09°C (rough estimate)
  • Flash Point: 85.6 ℃
  • Refractive Index: 1.4820 (estimate)
  • PSA: 32.26000
  • LogP: 1.71880

Benzenemethanol, a-[(1R)-1-(methylamino)ethyl]-, (aS)-rel- Security Information

Benzenemethanol, a-[(1R)-1-(methylamino)ethyl]-, (aS)-rel- Production Method

Production Method 1

Reaction Conditions
1.1R:NaOH, S:Dioxane, S:H2O, 0°C, pH 9; overnight, rt
2.1R:NaOH, S:THF, cooled; 24 h, rt
2.2S:H2O, rt
3.1R:F3CCO2H, S:CH2Cl2, rt; 24 h, rt
4.1S:DMSO, 1 h, 130°C
4.2R:AcOH, 4 h, reflux
Reference
Profiling ephedrine prepared from N-methylalanine via the Akabori-Momotani reaction
By Doddridge, Alexandra et al, Drug Testing and Analysis, 2018, 10(3), 548-556

Benzenemethanol, a-[(1R)-1-(methylamino)ethyl]-, (aS)-rel- Raw materials

Benzenemethanol, a-[(1R)-1-(methylamino)ethyl]-, (aS)-rel- Preparation Products

Benzenemethanol, a-[(1R)-1-(methylamino)ethyl]-, (aS)-rel- Related Literature

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