Cas no 928025-62-1 (tert-butyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate)

tert-butyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate structure
928025-62-1 structure
Product Name:tert-butyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate
CAS No:928025-62-1
MF:C13H26N2O2
MW:242.357743740082
MDL:MFCD07772108
CID:803213
PubChem ID:24820548
Update Time:2024-10-26

tert-butyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • (S)-tert-Butyl 3-isobutylpiperazine-1-carboxylate
    • (S)-1-Boc-3-isobutyl-piperazine
    • 1-Piperazinecarboxylic acid, 3-(2-methylpropyl)-, 1,1-dimethylethyl ester, (3S)-
    • 1,1-Dimethylethyl (3S)-3-(2-methylpropyl)-1-piperazinecarboxylate (ACI)
    • tert-butyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate
    • MFCD07772108
    • tert-butyl (3S)-3-isobutylpiperazine-1-carboxylate
    • STL555215
    • F52933
    • tert-Butyl (3S)-3-(2-methylpropyl)piperazine-1-carboxylate
    • (S)-tert-butyl3-isobutylpiperazine-1-carboxylate
    • LSZJZDBPJNYEIE-NSHDSACASA-N
    • DB-002993
    • (S)-1-BOC-3-ISOBUTYLPIPERAZINE
    • MS-20214
    • t-Butyl (3S)-3-(2-methylpropyl)piperazine-1-carboxylate
    • 1-Piperazinecarboxylicacid,3-(2-methylpropyl)-,1,1-dimethylethyl ester,(3S)-
    • DTXSID30647563
    • J-502365
    • SCHEMBL10219117
    • BBL101419
    • 928025-62-1
    • AKOS005258455
    • tert-butyl (S)-3-isobutylpiperazine-1-carboxylate
    • MDL: MFCD07772108
    • Inchi: 1S/C13H26N2O2/c1-10(2)8-11-9-15(7-6-14-11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3/t11-/m0/s1
    • InChI Key: LSZJZDBPJNYEIE-NSHDSACASA-N
    • SMILES: C(N1CCN[C@@H](CC(C)C)C1)(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 242.199
  • Monoisotopic Mass: 242.199
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 259
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 41.6A^2
  • XLogP3: 2.2

Experimental Properties

  • Density: 0.962
  • Boiling Point: 315.5°Cat760mmHg
  • Flash Point: 144.6°C
  • Refractive Index: 1.458
  • PSA: 41.57000
  • LogP: 2.50810

tert-butyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate Pricemore >>

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tert-butyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: 1,2-Dichloroethane ;  60 min, 40 °C
1.2 Reagents: Triethylamine Solvents: Acetonitrile ;  3 h, rt
1.3 Reagents: Triphenylphosphine Solvents: Tetrahydrofuran ;  5 min, rt
1.4 Reagents: Diisopropyl azodicarboxylate ;  3.5 h, rt
1.5 Reagents: 1-Octanethiol ,  1,8-Diazabicyclo[5.4.0]undec-7-ene Solvents: Acetonitrile ;  15 min, rt
Reference
Expedite Protocol for Construction of Chiral Regioselectively N-Protected Monosubstituted Piperazine, 1,4-Diazepane, and 1,4-Diazocane Building Blocks
Crestey, Francois; Witt, Matthias; Jaroszewski, Jerzy W.; Franzyk, Henrik, Journal of Organic Chemistry, 2009, 74(15), 5652-5655

Production Method 2

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Acetonitrile ;  cooled; 17 h, rt
Reference
Preparation of piperazinyl benzothiazoles as HDL increasing agents
, Japan, , ,

Production Method 3

Reaction Conditions
Reference
Preparation of benzothiazole derivatives and other heterocyclic compounds as PPAR agonists
, World Intellectual Property Organization, , ,

tert-butyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate Raw materials

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