Cas no 882033-93-4 (tert-butyl rel-(3R,4S)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate)

tert-butyl rel-(3R,4S)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate structure
882033-93-4 structure
Product Name:tert-butyl rel-(3R,4S)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
CAS No:882033-93-4
MF:C11H20FNO3
MW:233.279807090759
MDL:MFCD24850020
CID:3164186
PubChem ID:60165715
Update Time:2024-10-26

tert-butyl rel-(3R,4S)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • (3S,4R)-rel-1-Boc-3-fluoro-4-(hydroxymethyl)piperidine
    • (3,4)-Cis-tert-butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
    • tert-butyl rel-(3R,4S)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
    • rel-1,1-Dimethylethyl (3R,4S)-3-fluoro-4-(hydroxymethyl)-1-piperidinecarboxylate (ACI)
    • tert-Butyl cis-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
    • t-Butyl (3R,4S)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
    • AKOS027469879
    • SCHEMBL15227465
    • CS-0048561
    • 1523530-73-5
    • MFCD24850020
    • 882033-93-4
    • (3R,4S)-1-Boc-3-fluoro-4-(hydroxymethyl)piperidine
    • 1-Piperidinecarboxylic acid, 3-fluoro-4-(hydroxymethyl)-,1,1-dimethylethyl ester, (3R,4S)-rel-
    • PB37577
    • cis-1-Boc-3-Fluoro-4-(Hydroxymethyl)piperidine
    • DTXSID601134509
    • (3R,4S)-1-Boc-3-fluoro-4-(hydroxymethyl)piperidine ee
    • P17443
    • YKC53073
    • MFCD23105904
    • (cis)-tert-Butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
    • (3R,4S)-tert-butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
    • AS-34652
    • rel-1,1-Dimethylethyl (3R,4S)-3-fluoro-4-(hydroxymethyl)-1-piperidinecarboxylate
    • tert-butyl (3R,4S)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
    • cis-tert-butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
    • (3R,4S)-tert-butyl3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
    • MDL： MFCD24850020
    • Inchi： 1S/C11H20FNO3/c1-11(2,3)16-10(15)13-5-4-8(7-14)9(12)6-13/h8-9,14H,4-7H2,1-3H3/t8-,9-/m0/s1
    • InChI Key： UIACYDBUYRFVMD-IUCAKERBSA-N
    • SMILES： C(N1CC[C@@H](CO)[C@@H](F)C1)(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 233.14272166g/mol
  • Monoisotopic Mass: 233.14272166g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 252
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 49.8?2

tert-butyl rel-(3R,4S)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate Pricemore >>

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tert-butyl rel-(3R,4S)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran
2.1 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron
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 2

Reaction Conditions
1.1 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron
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: 9-Borabicyclo[3.3.1]nonane Solvents: Tetrahydrofuran ;  rt; rt → reflux; 2 h, reflux; reflux → 0 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ;  5 min, 0 °C
1.3 Reagents: Hydrogen peroxide Solvents: Water ;  10 min, rt
1.4 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 4

Reaction Conditions
1.1 Reagents: 9-Borabicyclo[3.3.1]nonane Solvents: Tetrahydrofuran ;  2 h, reflux
1.2 Reagents: Sodium hydroxide Solvents: Water ;  5 min, 0 °C
1.3 Reagents: Hydrogen peroxide Solvents: Water ;  10 min, 0 °C
1.4 Reagents: Water
Reference
Radiolabelling of 1,4-disubstituted 3-[18F]fluoropiperidines and its application to new radiotracers for NR2B NMDA receptor visualization
Koudih, Radouane; et al, Organic & Biomolecular Chemistry, 2012, 10(42), 8493-8500

Production Method 5

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
2.1 Reagents: 9-Borabicyclo[3.3.1]nonane Solvents: Tetrahydrofuran ;  rt; rt → reflux; 2 h, reflux; reflux → 0 °C
2.2 Reagents: Sodium hydroxide Solvents: Water ;  5 min, 0 °C
2.3 Reagents: Hydrogen peroxide Solvents: Water ;  10 min, rt
2.4 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 6

Reaction Conditions
1.1 Reagents: Selectfluor
2.1 Reagents: Butyllithium Solvents: Tetrahydrofuran
3.1 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron
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 7

Reaction Conditions
1.1 Reagents: Triethylamine
2.1 Reagents: Selectfluor
3.1 Reagents: Butyllithium Solvents: Tetrahydrofuran
4.1 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron
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 rel-(3R,4S)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate Raw materials

tert-butyl rel-(3R,4S)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate Preparation Products

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