Cas no 889687-37-0 (1-(3-Bromopyridin-4-yl)cyclobutanol)

1-(3-Bromopyridin-4-yl)cyclobutanol structure
889687-37-0 structure
Product Name:1-(3-Bromopyridin-4-yl)cyclobutanol
CAS No:889687-37-0
MF:C9H10BrNO
MW:228.08580160141
MDL:MFCD26399245
CID:2120051
PubChem ID:68899458
Update Time:2024-10-26

1-(3-Bromopyridin-4-yl)cyclobutanol Chemical and Physical Properties

Names and Identifiers

    • 1-(3-bromopyridin-4-yl)cyclobutanol
    • LPEXMEMRRQVXBQ-UHFFFAOYSA-N
    • FCH2494633
    • 1-(3-Bromo-pyridin-4-yl)-cyclobutanol
    • Cyclobutanol, 1-(3-bromo-4-pyridinyl)-
    • AK152795
    • AX8289148
    • 1-(3-Bromo-4-pyridinyl)cyclobutanol (ACI)
    • 889687-37-0
    • 1-(3-bromopyridin-4-yl)cyclobutan-1-ol
    • SCHEMBL4067360
    • DB-336704
    • DS-7353
    • AKOS024258246
    • 1-(3-Bromo-4-pyridinyl)cyclobutanol
    • A51227
    • 1-(3-Bromopyridin-4-yl)cyclobutanol
    • MDL: MFCD26399245
    • Inchi: 1S/C9H10BrNO/c10-8-6-11-5-2-7(8)9(12)3-1-4-9/h2,5-6,12H,1,3-4H2
    • InChI Key: LPEXMEMRRQVXBQ-UHFFFAOYSA-N
    • SMILES: BrC1C(C2(CCC2)O)=CC=NC=1

Computed Properties

  • Exact Mass: 226.99458g/mol
  • Monoisotopic Mass: 226.99458g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 33.1
  • XLogP3: 1.4

1-(3-Bromopyridin-4-yl)cyclobutanol Pricemore >>

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1-(3-Bromopyridin-4-yl)cyclobutanol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Piperidine, 2,2,6,6-tetramethyl-, lithium salt (1:1) Solvents: Tetrahydrofuran ;  -85 °C; 25 min, -85 °C
1.2 Solvents: Tetrahydrofuran ;  15 min, -85 °C
1.3 Reagents: Sodium bicarbonate Solvents: Water ;  5 min
Reference
Scalable and Straightforward Synthesis of All Isomeric (Cyclo)alkylpiperidines
Subota, Andrii I.; Lutsenko, Anton O.; Vashchenko, Bohdan V.; Volochnyuk, Dmitriy M.; Levchenko, Vitalina; et al, European Journal of Organic Chemistry, 2019, 2019(22), 3636-3648

Production Method 2

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ;  20 min, rt → -85 °C; 25 min, 25 °C
1.2 Solvents: Tetrahydrofuran ;  15 min, -85 °C; -85 °C → rt
1.3 Reagents: Sodium bicarbonate Solvents: Water ;  rt
Reference
Synthesis of Dihydropyridine Spirocycles by Semi-Pinacol-Driven Dearomatization of Pyridines
Abell, Joseph C. ; Bold, Christian P. ; Vicens, Laia; Jentsch, Tom; Perez, Noelia Velasco; et al, Organic Letters, 2023, 25(2), 400-404

1-(3-Bromopyridin-4-yl)cyclobutanol Raw materials

1-(3-Bromopyridin-4-yl)cyclobutanol Preparation Products

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