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CS-W001157 4
Total: USD 88.00

tert-Butyl 4-chlorobutanoate

  • CAS No. 3153-32-0

  • Cat. No. CS-0078972
  • Molecule weight178.66
  • Purity≥95%
  • MDL No.MFCD01569943

*For research and further manufacturing use only, not for direct human use.

tert-Butyl 4-chlorobutanoate|CS-0078972

Structure of 3153-32-0

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General Information

  • CAS No. 3153-32-0
  • Cat. No. CS-0078972
  • Purity ≥95%
  • MDL No. MFCD01569943
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₅ClO₂
  • Molecular Weight 178.66
  • Synonym(s) None
  • SMILES O=C(OC(C)(C)C)CCCCl

Synthesis

  • Route1
    • null|null
      4635-59-0
    • null|null
      75-65-0
    • ~97%
    • tert-Butyl 4-chlorobutanoate|CS-0078972
      3153-32-0

    References

    • CELLVIR; INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM); CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S); BENAROUS, Richard; BARBEY-TREVE, Sabine; PARIS, Jean-Marc; BERRUT, Sebastien; BERLIOZ-TORRENT, Clarisse; EMILIANI, Stephane Patent: WO2010/66847 A1, 2010 ; Location in patent: Page/Page column 86 ;
  • Route2
    • null|null
      4635-59-0
    • ~71%
    • tert-Butyl 4-chlorobutanoate|CS-0078972
      3153-32-0

    References

    • Church, Timothy J.; Cutshall, Neil Scott; Gangloff, Anthony R.; Jenkins, Thomas E.; Linsell, Martin S.; Litvak, Joane; Rice, Kenneth D.; Spencer, Jeffrey R.; Wang, Vivian R. Patent: US2001/53779 A1, 2001 ;
  • Route3
    • 4-Chlorobutanoic acid Levetiracetam Impurity|CS-0213997
      627-00-9
    • null|null
      115-11-7
    • ~%
    • tert-Butyl 4-chlorobutanoate|CS-0078972
      3153-32-0

    References

    • Chang; Coward Journal of Medicinal Chemistry, 1976 , vol. 19, # 5 p. 684 - 691

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.3471
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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