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CS-W001157 4
Total: USD 88.00

tert-Butyl methyl malonate

  • CAS No. 42726-73-8

  • Cat. No. CS-W008068
  • Purity≥97%
  • MDL No.MFCD00042856

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

tert-Butyl methyl malonate|CS-W008068

Structure of 42726-73-8

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General Information

  • CAS No. 42726-73-8
  • Cat. No. CS-W008068
  • Purity ≥97%
  • MDL No. MFCD00042856
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₄
  • Molecular Weight 174.19
  • Synonym(s) tert-butyl methyl propanedioate; tert-Butyl methyl malonate
  • SMILES C(C(OC(C)(C)C)=O)C(OC)=O

Description

tert-Butyl methyl malonate features a sterically hindered tert-butyl group flanked by a methyl ester and a reactive methylene center, enabling efficient alkylation under mild conditions. This bench-stable diester integrates readily into synthetic sequences requiring controlled carbon-carbon bond formation.

Synthesis

  • Route1
    • In-stock
      tert-Butyl hydrogen malonate|CS-D1454
      40052-13-9
    • null|null
      79-22-1
    • ~94%
    • In-stock
      tert-Butyl methyl malonate|CS-W008068
      42726-73-8

    References

    • Smith, Alexander M. R.; Rzepa, Henry S.; White, Andrew J. P.; Billen, Denis; Hii, King Kuok Journal of Organic Chemistry, 2010 , vol. 75, # 9 p. 3085 - 3096
  • Route2
    • null|null
      540-88-5
    • ~%
    • In-stock
      tert-Butyl methyl malonate|CS-W008068
      42726-73-8

    References

    • Hauser; Levine; Kibler Journal of the American Chemical Society, 1946 , vol. 68, p. 27
  • Route3
    • null|null
      186581-53-3
    • In-stock
      tert-Butyl hydrogen malonate|CS-D1454
      40052-13-9
    • ~%
    • In-stock
      tert-Butyl methyl malonate|CS-W008068
      42726-73-8

    References

    • Hauser; Levine; Kibler Journal of the American Chemical Society, 1946 , vol. 68, p. 27

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   0.8912
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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