Cas no 955400-16-5 (tert-butyl (3S)-3-(methoxymethyl)piperazine-1-carboxylate)

tert-butyl (3S)-3-(methoxymethyl)piperazine-1-carboxylate structure
955400-16-5 structure
Product Name:tert-butyl (3S)-3-(methoxymethyl)piperazine-1-carboxylate
CAS No:955400-16-5
MF:C11H22N2O3
MW:230.303983211517
MDL:MFCD15072107
CID:2083408
PubChem ID:57960204
Update Time:2024-10-25

tert-butyl (3S)-3-(methoxymethyl)piperazine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • (S)-1-Boc-3-(methoxymethyl)piperazine
    • (S)-tert-Butyl 3-(methoxymethyl)piperazine-1-carboxylate
    • (3S)-3-(Methoxymethyl)-1-piperazinecarboxylic acid 1,1-dimethylethyl ester
    • tert-butyl (3S)-3-(methoxymethyl)piperazine-1-carboxylate
    • tert-butyl (S)-3-(methoxymethyl)piperazine-1-carboxylate
    • BH113
    • SB12567
    • (S)-4-Boc-2-(methoxymethyl)piperazine
    • AB0204118
    • 1,1-Dimethylethyl (3S)-3-(methoxymethyl)-1-piperazinecarboxylate (ACI)
    • 1-Piperazinecarboxylic acid 3-(methoxymethyl)-, 1,1-dimethylethyl ester (3S)-
    • (S)-3-Methoxymethyl-piperazine-1-carboxylic acid tert-butyl ester
    • MFCD15072107
    • DB-247734
    • (S)-TERT-BUTYL3-(METHOXYMETHYL)PIPERAZINE-1-CARBOXYLATE
    • 955400-16-5
    • AKOS027324605
    • CS-0029663
    • 1-Piperazinecarboxylic acid, 3-(methoxymethyl)-, 1,1-dimethylethyl ester, (3S)-
    • SCHEMBL2080334
    • AS-70104
    • MDL: MFCD15072107
    • Inchi: 1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-5-12-9(7-13)8-15-4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
    • InChI Key: QBJWNCXOPXVECA-VIFPVBQESA-N
    • SMILES: C(N1CCN[C@H](COC)C1)(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 230.16304257g/mol
  • Monoisotopic Mass: 230.16304257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 238
  • 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: 50.8
  • XLogP3: 0.4

Experimental Properties

  • Density: 1.025±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 300.9±17.0°C at 760 mmHg
  • Solubility: Dissolution (37 g/l) (25 o C),

tert-butyl (3S)-3-(methoxymethyl)piperazine-1-carboxylate Security Information

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tert-butyl (3S)-3-(methoxymethyl)piperazine-1-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Formic acid Catalysts: Palladium Solvents: Methanol ;  rt
Reference
Preparation of azolecarboxamide derivatives as trkA receptor inhibitors
, World Intellectual Property Organization, , ,

tert-butyl (3S)-3-(methoxymethyl)piperazine-1-carboxylate Raw materials

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