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CS-W001157 4
Total: USD 88.00

Benzyl tert-butyl malonate

  • CAS No. 72594-86-6

  • Cat. No. CS-0128412
  • Purity≥96%
  • MDL No.MFCD01075175
  • HazMat Fee +

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    Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

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    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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

Benzyl tert-butyl malonate|CS-0128412

Structure of 72594-86-6

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Description

Benzyl tert-butyl malonate serves as a key synthon in asymmetric synthesis, featuring a sterically hindered tert-butyl group and a benzyl ester that enables selective deprotonation and subsequent functionalization. This robust scaffold facilitates the construction of complex chiral intermediates under mild conditions.

Application

Benzyl tert-butyl malonate serves as a versatile synthon in synthetic organic chemistry, enabling efficient construction of substituted malonic ester derivatives. Its dual protecting groups—benzyl and tert-butyl—offer orthogonal deprotection options, enhancing flexibility in complex molecule synthesis. The compound exhibits excellent bench stability, facilitates smooth enolization and alkylation reactions, and is compatible with standard functional group manipulations. It functions as a key building block for heterocyclic scaffolds and bioactive molecules in medicinal chemistry workflows.

General Information

  • CAS No. 72594-86-6
  • Cat. No. CS-0128412
  • Purity ≥96%
  • MDL No. MFCD01075175
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈O₄
  • Molecular Weight 250.29
  • Synonym(s) Benzyl tert-butyl propanedioate
  • SMILES O=C(OC(C)(C)C)CC(OCC1=CC=CC=C1)=O

Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.4616
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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