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CS-W001157 4
Total: USD 88.00

2-Isopropylmalonic acid

  • CAS No. 601-79-6

  • Cat. No. CS-W021708
  • Purity≥97%
  • MDL No.MFCD00021717

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

2-Isopropylmalonic acid|CS-W021708

Structure of 601-79-6

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General Information

  • CAS No. 601-79-6
  • Cat. No. CS-W021708
  • Purity ≥97%
  • MDL No. MFCD00021717
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀O₄
  • Molecular Weight 146.14
  • Synonym(s) propan-2-ylpropanedioic acid
  • SMILES CC(C(C(O)=O)C(O)=O)C

Description

2-Isopropylmalonic acid features a branched alkyl substituent at the alpha carbon, enhancing steric bulk and influencing reactivity in synthetic transformations. This structural motif facilitates controlled decarboxylation pathways and serves as a key intermediate in the synthesis of chiral building blocks for pharmaceutical applications.

Application

2-Isopropylmalonic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted cyclopropanes and heterocyclic scaffolds via decarboxylation and cycloaddition cascades. Its α-dicarbonyl functionality facilitates controlled functionalization, while the isopropyl group imparts steric stability and favorable solubility profiles for bench-scale applications.

Synthesis

  • Route1
    • null|null
      72651-95-7
    • ~98%
    • In-stock
      2-Isopropylmalonic acid|CS-W021708
      601-79-6

    References

    • Pohl; Hans; Hwan Young Lee; Yu Sam Kim; Cane; Khosla Journal of the American Chemical Society, 2001 , vol. 123, # 24 p. 5822 - 5823
  • Route2
    • 2-(Methoxycarbonyl)-3-methylbutanoic acid|CS-1272437
      103495-93-8
    • null|null
      543-27-1
    • ~%
    • In-stock
      2-Isopropylmalonic acid|CS-W021708
      601-79-6

    References

    • US5753652 A1, ;
  • Route3

    References

    • WO2007/57643 A1, ; Page/Page column 8-9 ; WO 2007/057643 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   0.4278
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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