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(2R,3S)-2-(2-(tert-butoxy)-2-oxoethyl)-3-methylpentanoic acid

  • CAS No. 692778-50-0

  • Cat. No. CS-0552896
  • Molecule weight230.30
  • Purity≥98%
  • MDL No.None

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

(2R,3S)-2-(2-(tert-butoxy)-2-oxoethyl)-3-methylpentanoic acid|CS-0552896

Structure of 692778-50-0

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General Information

  • CAS No. 692778-50-0
  • Cat. No. CS-0552896
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₂O₄
  • Molecular Weight 230.30
  • Synonym(s) 2-Sec-butyl-succinic acid 4-tert-butyl ester
  • SMILES CC[C@H](C)[C@@H](CC(=O)OC(C)(C)C)C(=O)O

Synthesis

  • Route1
    • Tert-butyl 3-(4-benzyl-2-oxooxazolidine-3-carbonyl)-4-methylhexanoate|CS-0589823
      692778-49-7
    • ~92%
    • (2R,3S)-2-(2-(tert-butoxy)-2-oxoethyl)-3-methylpentanoic acid|CS-0552896
      692778-50-0

    References

    • Armstrong, Alan; Scutt, James N Chemical communications (Cambridge, England), 2004 , # 5 p. 510 - 511
  • Route2

    References

    • Armstrong, Alan; Scutt, James N Chemical communications (Cambridge, England), 2004 , # 5 p. 510 - 511
  • Route3
    • L-Isoleucine, 99%|CS-1269087
      73-32-5
    • ~%
    • (2R,3S)-2-(2-(tert-butoxy)-2-oxoethyl)-3-methylpentanoic acid|CS-0552896
      692778-50-0

    References

    • Armstrong, Alan; Scutt, James N Chemical communications (Cambridge, England), 2004 , # 5 p. 510 - 511

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   2.4651
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   5

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