Cas no 928025-60-9 ((S)-tert-Butyl 3-butylpiperazine-1-carboxylate)

(S)-tert-Butyl 3-butylpiperazine-1-carboxylate structure
928025-60-9 structure
Product Name:(S)-tert-Butyl 3-butylpiperazine-1-carboxylate
CAS No:928025-60-9
MF:C13H26N2O2
MW:242.357743740082
MDL:MFCD07772104
CID:803215
PubChem ID:24820546
Update Time:2024-10-26

(S)-tert-Butyl 3-butylpiperazine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • (S)-tert-Butyl 3-butylpiperazine-1-carboxylate
    • (S)-1-Boc-3-butyl-piperazine
    • 1-Piperazinecarboxylic acid, 3-butyl-, 1,1-dimethylethyl ester, (3S)-
    • 1,1-Dimethylethyl (3S)-3-butyl-1-piperazinecarboxylate (ACI)
    • (S)-tert-Butyl3-butylpiperazine-1-carboxylate
    • tert-Butyl (3S)-3-butylpiperazine-1-carboxylate
    • tert-butyl (S)-3-butylpiperazine-1-carboxylate
    • 928025-60-9
    • CS-0001886
    • MFCD07772104
    • D93271
    • 1-Piperazinecarboxylicacid,3-butyl-,1,1-dimethylethyl ester,(3S)-
    • AKOS005258446
    • AS-78275
    • DB-002992
    • AKOS016013207
    • SCHEMBL10219111
    • DTXSID10647561
    • (S)-1-BOC-3-BUTYLPIPERAZINE
    • MDL: MFCD07772104
    • Inchi: 1S/C13H26N2O2/c1-5-6-7-11-10-15(9-8-14-11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3/t11-/m0/s1
    • InChI Key: ZNICOTLOPCODTO-NSHDSACASA-N
    • SMILES: C(N1CCN[C@@H](CCCC)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: 5
  • Complexity: 248
  • 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: 2.3

Experimental Properties

  • Density: 0.964
  • Boiling Point: 320.5°Cat760mmHg
  • Flash Point: 147.7°C
  • Refractive Index: 1.459
  • PSA: 41.57000
  • LogP: 2.65220

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(S)-tert-Butyl 3-butylpiperazine-1-carboxylate Production Method

Production Method 1

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

Production Method 2

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

(S)-tert-Butyl 3-butylpiperazine-1-carboxylate Raw materials

(S)-tert-Butyl 3-butylpiperazine-1-carboxylate Preparation Products

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