Cas no 438049-91-3 (tert-butyl (3R,5R)-3,5-dimethylpiperazine-1-carboxylate)

Tert-butyl (3R,5R)-3,5-dimethylpiperazine-1-carboxylate is a chiral piperazine derivative widely used as a key intermediate in pharmaceutical synthesis. Its stereospecific (3R,5R) configuration ensures high enantiopurity, making it valuable for asymmetric synthesis and drug development. The tert-butyloxycarbonyl (Boc) protecting group enhances stability and facilitates selective deprotection under mild acidic conditions. This compound is particularly useful in the preparation of bioactive molecules, including protease inhibitors and other therapeutic agents. Its rigid, dimethyl-substituted piperazine core contributes to conformational control in target structures. The product is typically supplied with high chemical purity, ensuring reproducibility in synthetic applications.
tert-butyl (3R,5R)-3,5-dimethylpiperazine-1-carboxylate structure
438049-91-3 structure
Product Name:tert-butyl (3R,5R)-3,5-dimethylpiperazine-1-carboxylate
CAS No:438049-91-3
MF:C11H22N2O2
MW:214.304583072662
MDL:MFCD08686695
CID:1023871
PubChem ID:51670829
Update Time:2025-10-19

tert-butyl (3R,5R)-3,5-dimethylpiperazine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • (3R,5R)-tert-Butyl 3,5-dimethylpiperazine-1-carboxylate
    • (3R,5R)-3,5-Dimethyl-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester
    • TERT-BUTYL (3R,5R)-3,5-DIMETHYLPIPERAZINE-1-CARBOXYLATE
    • AK102255
    • (3R,5R)-1-BOC-3,5-DIMETHYLPIPERAZINE
    • NUZXPHIQZUYMOR-RKDXNWHRSA-N
    • 6039AB
    • FCH2820360
    • AB48028
    • (3R,5R)-1-Boc-3,5-dimethyl-piperazine
    • AX8233794
    • AB0185273
    • (3R,5R)-3,5-Dimethyl-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Es
    • trans-tert-Butyl-3,5-dimethylpiperazine-1-carboxylate
    • (3R,5R)-3,5-Dimethyl-1-piperazinecarb
    • MFCD08686695
    • CS-0048555
    • DS-3797
    • DB-336027
    • SCHEMBL1005767
    • DTXSID30680192
    • P10620
    • 438049-91-3
    • 1-PIPERAZINECARBOXYLIC ACID, 3,5-DIMETHYL-, 1,1-DIMETHYLETHYL ESTER, (3R,5R)-
    • (3R,5R)-tert-Butyl3,5-dimethylpiperazine-1-carboxylate
    • AKOS016004085
    • (3R,5R)-3,5-Dimethyl-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester; 1-Piperazinecarboxylic acid, 3,5-dimethyl-, 1,1-dimethylethyl ester, (3R,5R)-; 1,1-Dimethylethyl (3R,5R)-3,5-dimethyl-1-piperazinecarboxylate; (3R,5R)-3,5-Dimethylpiperazine-1-carboxylic acid tert-butyl ester; tert-Butyl (3R,5R)-3,5-dimethylpiperazine-1-c
    • 2216747-02-1
    • tert-butyl (3R,5R)-3,5-dimethylpiperazine-1-carboxylate
    • MDL: MFCD08686695
    • Inchi: 1S/C11H22N2O2/c1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9-/m1/s1
    • InChI Key: NUZXPHIQZUYMOR-RKDXNWHRSA-N
    • SMILES: O(C(C)(C)C)C(N1C[C@@H](C)N[C@H](C)C1)=O

Computed Properties

  • Exact Mass: 214.168127949g/mol
  • Monoisotopic Mass: 214.168127949g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 225
  • 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
  • Topological Polar Surface Area: 41.6
  • XLogP3: 1.3

Experimental Properties

  • Density: 0.970±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: NA
  • Boiling Point: 279.7±15.0 oC (760 Torr),
  • Flash Point: 123.0±20.4 oC,
  • Solubility: Slightly soluble (8.8 g/l) (25 o C),
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

tert-butyl (3R,5R)-3,5-dimethylpiperazine-1-carboxylate Security Information

tert-butyl (3R,5R)-3,5-dimethylpiperazine-1-carboxylate Pricemore >>

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