Cas no 882033-92-3 (tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate)

tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate structure
882033-92-3 structure
Product Name:tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate
CAS No:882033-92-3
MF:C11H18FNO2
MW:215.264526844025
MDL:MFCD18632743
CID:1083600
PubChem ID:53302091
Update Time:2024-10-26

tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 3-fluoro-4-methylenepiperidine-1-carboxylate
    • tert-butyl 1-[3-fluoro-4-methylenepiperidin-1-yl]carboxylate
    • tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate
    • 1,1-Dimethylethyl 3-fluoro-4-methylene-1-piperidinecarboxylate (ACI)
    • tert-butyl (3S)-3-fluoro-4-methylidenepiperidine-1-carboxylate
    • DB-077209
    • 1-Boc-3-fluoro-4-methylenepiperidine, AldrichCPR
    • tert-butyl (3R)-3-fluoro-4-methylidenepiperidine-1-carboxylate
    • MFCD18632743
    • 882033-92-3
    • tert-butyl3-fluoro-4-methylenepiperidine-1-carboxylate
    • SCHEMBL15227433
    • CS-W001665
    • FHMOJENFEWBNDZ-UHFFFAOYSA-N
    • AS-31865
    • AKOS015897788
    • 2198241-74-4
    • 3-fluoro-4-methylene-1-piperidinecarboxylic acid tert-butyl ester
    • SB11522
    • 2382323-83-1
    • SY108742
    • 1-Boc-3-fluoro-4-methylenepiperidine
    • MDL: MFCD18632743
    • Inchi: 1S/C11H18FNO2/c1-8-5-6-13(7-9(8)12)10(14)15-11(2,3)4/h9H,1,5-7H2,2-4H3
    • InChI Key: FHMOJENFEWBNDZ-UHFFFAOYSA-N
    • SMILES: O=C(N1CC(F)C(=C)CC1)OC(C)(C)C

Computed Properties

  • Exact Mass: 215.13215698g/mol
  • Monoisotopic Mass: 215.13215698g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 270
  • 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: 1.8
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • Density: 1.06
  • Boiling Point: 261℃
  • Flash Point: 111℃
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate Security Information

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tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ;  -78 °C; 2 h, -78 °C
1.2 Solvents: Tetrahydrofuran ;  -78 °C; -78 °C → rt; overnight, rt
1.3 Reagents: Water ;  rt
Reference
Synthesis and in vitro characterization of trans- and cis-[18F]-4-methylbenzyl 4-[(pyrimidin-2-ylamino)methyl]-3-fluoropiperidine-1-carboxylates as new potential PET radiotracer candidates for the NR2B subtype N-methyl-D-aspartate receptor
Koudih, Radouane; et al, European Journal of Medicinal Chemistry, 2012, 53, 408-415

Production Method 2

Reaction Conditions
1.1 Reagents: Triethylamine
2.1 Reagents: Selectfluor
3.1 Reagents: Butyllithium Solvents: Tetrahydrofuran
Reference
Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model
Barberis, Claude; et al, Bioorganic & Medicinal Chemistry Letters, 2020, 30(23),

Production Method 3

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran
Reference
Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model
Barberis, Claude; et al, Bioorganic & Medicinal Chemistry Letters, 2020, 30(23),

Production Method 4

Reaction Conditions
1.1 Reagents: Selectfluor
2.1 Reagents: Butyllithium Solvents: Tetrahydrofuran
Reference
Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model
Barberis, Claude; et al, Bioorganic & Medicinal Chemistry Letters, 2020, 30(23),

tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate Raw materials

tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate Preparation Products

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