Cas no 842169-71-5 (1-(3-Bromo-phenyl)-2,2,2-trifluoro-ethylamine hydrochloride)

1-(3-Bromo-phenyl)-2,2,2-trifluoro-ethylamine hydrochloride structure
842169-71-5 structure
Product Name:1-(3-Bromo-phenyl)-2,2,2-trifluoro-ethylamine hydrochloride
CAS No:842169-71-5
MF:C8H8BrClF3N
MW:290.508030891418
MDL:MFCD22689207
CID:1822176
PubChem ID:86767655
Update Time:2024-10-26

1-(3-Bromo-phenyl)-2,2,2-trifluoro-ethylamine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanamine, 3-bromo-a-(trifluoromethyl)-, hydrochloride
    • 1-(3-Bromo-phenyl)-2,2,2-trifluoro-ethylamine hydrochloride
    • 1-(3-bromophenyl)-2,2,2-trifluoroethanamine;hydrochloride
    • 1-(3-bromophenyl)-2,2,2-trifluoroethan-1-amine hydrochloride
    • SB38953
    • SB38956
    • SB39303
    • N16831
    • 1-(3-BROMOPHENYL)-2,2,2-TRIFLUOROETHANAMINE HYDROCHLORIDE
    • 1-(3-Bromo-phenyl)-2,2,2-trifluoro-ethylamine hydrochloride, AldrichCPR
    • Benzenemethanamine, 3-bromo-α-(trifluoromethyl)-, hydrochloride (9CI)
    • 1-(3-Bromo-phenyl)-2,2,2-trifluoro-ethylaminehydrochloride
    • CS-0156969
    • MFCD22689207
    • BS-17714
    • SCHEMBL26617926
    • 842169-71-5
    • AKOS037649268
    • MDL: MFCD22689207
    • Inchi: 1S/C8H7BrF3N.ClH/c9-6-3-1-2-5(4-6)7(13)8(10,11)12;/h1-4,7H,13H2;1H
    • InChI Key: DRGOYEFQAGQGHF-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)C(C(F)(F)F)N.Cl

Computed Properties

  • Exact Mass: 288.94807g/mol
  • Monoisotopic Mass: 288.94807g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 171
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26

1-(3-Bromo-phenyl)-2,2,2-trifluoro-ethylamine hydrochloride Security Information

1-(3-Bromo-phenyl)-2,2,2-trifluoro-ethylamine hydrochloride Pricemore >>

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1-(3-Bromo-phenyl)-2,2,2-trifluoro-ethylamine hydrochloride Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lithium bis(trimethylsilyl)amide Solvents: Toluene ,  Tetrahydrofuran ;  10 min, rt; 15 min, rt
1.2 Reagents: (Dimethyl sulfide)trihydroboron Solvents: Toluene ;  20 min, rt; rt → 0 °C
1.3 Reagents: Sodium hydroxide Solvents: Water ;  5 min, rt; 90 min, rt
1.4 Reagents: Hydrochloric acid Solvents: Diethyl ether ,  Toluene ,  1,4-Dioxane ;  rt
Reference
Unprecedented Catalytic Asymmetric Reduction of N-H Imines
Gosselin, Francis; O'Shea, Paul D.; Roy, Stephanie; Reamer, Robert A.; Chen, Cheng-Yi; et al, Organic Letters, 2005, 7(2), 355-358

1-(3-Bromo-phenyl)-2,2,2-trifluoro-ethylamine hydrochloride Raw materials

1-(3-Bromo-phenyl)-2,2,2-trifluoro-ethylamine hydrochloride Preparation Products

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