Cas no 905587-41-9 (1-(5-fluoropyrimidin-2-yl)ethan-1-amine)

1-(5-fluoropyrimidin-2-yl)ethan-1-amine structure
905587-41-9 structure
Product Name:1-(5-fluoropyrimidin-2-yl)ethan-1-amine
CAS No:905587-41-9
MF:C6H8FN3
MW:141.146224021912
MDL:MFCD18205690
CID:1090457
PubChem ID:50994814
Update Time:2024-10-26

1-(5-fluoropyrimidin-2-yl)ethan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 1-(5-Fluoropyrimidin-2-yl)ethanamine
    • 1-(5-Fluoro-2-pyrimidinyl)ethanamine
    • 5-Fluoro-α-methyl-2-pyrimidinemethanamine (ACI)
    • 1-(5-fluoropyrimidin-2-yl)ethan-1-amine
    • 1-(5-Fluoro-pyrimidin-2-yl)-ethylamine
    • AHCHUPFJXHQIRC-UHFFFAOYSA-N
    • EN300-2925541
    • SCHEMBL219272
    • MFCD18250684
    • SY383618
    • P12221
    • 905587-29-3
    • SY383620
    • AKOS006339377
    • DTXSID30679187
    • AB73465
    • AB73466
    • (R)-1-(5-FLUORO-PYRIMIDIN-2-YL)-ETHYLAMINE
    • 905587-41-9
    • DB-290816
    • (R)-1-(5-Fluoro-2-pyrimidinyl)ethanamine
    • (S)-1-(5-Fluoro-2-pyrimidinyl)ethanamine
    • C6H8FN3
    • PB11305
    • MFCD18250685
    • MDL: MFCD18205690
    • Inchi: 1S/C6H8FN3/c1-4(8)6-9-2-5(7)3-10-6/h2-4H,8H2,1H3
    • InChI Key: AHCHUPFJXHQIRC-UHFFFAOYSA-N
    • SMILES: FC1C=NC(C(C)N)=NC=1

Computed Properties

  • Exact Mass: 141.07022543g/mol
  • Monoisotopic Mass: 141.07022543g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 101
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.4
  • Topological Polar Surface Area: 51.8?2

1-(5-fluoropyrimidin-2-yl)ethan-1-amine Pricemore >>

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1-(5-fluoropyrimidin-2-yl)ethan-1-amine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol
Reference
Use of Immobilized Amine Transaminase from Vibrio fluvialis under Flow Conditions for the Synthesis of (S)-1-(5-Fluoropyrimidin-2-yl)-ethanamine
Semproli, Riccardo; Vaccaro, Gianmarco; Ferrandi, Erica E. ; Vanoni, Marta; Bavaro, Teodora ; et al, ChemCatChem, 2020, 12(5), 1359-1367

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  3 h, 18 - 25 °C
Reference
Discovery of 5-Chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (AZD1480) as a Novel Inhibitor of the Jak/Stat Pathway
Ioannidis, Stephanos; Lamb, Michelle L.; Wang, Tao; Almeida, Lynsie; Block, Michael H.; et al, Journal of Medicinal Chemistry, 2011, 54(1), 262-276

Production Method 3

Reaction Conditions
1.1 Reagents: Ammonium acetate ,  Sodium cyanoborohydride Solvents: Methanol ;  24 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 1, rt
1.3 Reagents: Sodium hydroxide Solvents: Water ;  pH 10, rt
Reference
Direct Asymmetric Reductive Amination of Alkyl (Hetero)Aryl Ketones by an Engineered Amine Dehydrogenase
Kong, Weixi; Liu, Yunting; Huang, Chen; Zhou, Liya; Gao, Jing; et al, Angewandte Chemie, 2022, 61(21),

1-(5-fluoropyrimidin-2-yl)ethan-1-amine Raw materials

1-(5-fluoropyrimidin-2-yl)ethan-1-amine Preparation Products

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