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CS-W001157 4
Total: USD 88.00

Iodomethyl benzoate

  • CAS No. 13943-33-4

  • Cat. No. CS-0445868
  • Purity≥97%
  • MDL No.None

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

Iodomethyl benzoate|CS-0445868

Structure of 13943-33-4

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General Information

  • CAS No. 13943-33-4
  • Cat. No. CS-0445868
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇IO₂
  • Molecular Weight 262.04
  • Synonym(s) benzoic acid,iodomethanol
  • SMILES C(I)OC(C=1C=CC=CC1)=O

Description

Iodomethyl benzoate features a reactive iodomethyl group attached to a benzoate scaffold, enabling efficient alkylation under mild conditions. This electrophilic handle facilitates rapid conjugation in synthetic transformations and is compatible with various functional groups. The compound exhibits high stability during storage and reliable performance in nucleophilic substitution reactions.

Application

Iodomethyl benzoate serves as a versatile electrophilic iodide source in synthetic organic chemistry, enabling efficient alkylation of nucleophiles under mild conditions. Its benzoate ester group provides enhanced stability and facilitates purification, while the iodomethyl moiety exhibits high reactivity in SN2 transformations. This compound functions reliably in the construction of complex molecular architectures, including heterocyclic systems and functionalized alkyl chains, making it a practical choice for bench-scale synthesis and process development.

Safety Information

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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

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.2359
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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