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CS-W001157 4
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tert-Butyl (4-iodocyclohexyl)carbamate

  • CAS No. 1179986-79-8

  • Cat. No. CS-0041007
  • Purity≥95%
  • MDL No.MFCD18252818

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

tert-Butyl (4-iodocyclohexyl)carbamate|CS-0041007

Structure of 1179986-79-8

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General Information

  • CAS No. 1179986-79-8
  • Cat. No. CS-0041007
  • Purity ≥95%
  • MDL No. MFCD18252818
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₀INO₂
  • Molecular Weight 325.19
  • Synonym(s) tert-butyl N-(4-iodocyclohexyl)carbamate
  • SMILES O=C(OC(C)(C)C)NC1CCC(I)CC1

Description

tert-Butyl (4-iodocyclohexyl)carbamate features a sterically hindered cyclohexyl scaffold bearing a reactive iodide at the 4-position, enabling facile cross-coupling transformations. The tert-butyl carbamate group provides stable protection of primary amines under standard conditions, facilitating downstream functionalization in synthetic sequences.

Application

tert-Butyl (4-iodocyclohexyl)carbamate serves as a versatile building block for the synthesis of iodinated cyclohexane derivatives, enabling palladium-catalyzed cross-coupling reactions with broad functional group tolerance. The tert-butyl carbamate (Boc) group provides excellent stability under basic conditions and facilitates straightforward deprotection. Its iodine functionality allows efficient coupling in Suzuki, Stille, or Negishi transformations, making it ideal for constructing complex scaffolds in medicinal chemistry and materials science applications.

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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Computational Chemistry Data

  • TPSA   38.33
  • LogP   3.2573
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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