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tert-Butyl (2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate

  • CAS No. 1251009-79-6

  • Cat. No. CS-0038758
  • Purity≥97%
  • MDL No.None

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

tert-Butyl (2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate|CS-0038758

Structure of 1251009-79-6

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General Information

  • CAS No. 1251009-79-6
  • Cat. No. CS-0038758
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇BrN₂O₂S
  • Molecular Weight 333.25
  • Synonym(s) (2-BroMo-4,5,6,7-tetrahydro-benzothiazol-6-yl)-carbaMic acid tert-butyl ester
  • SMILES CC(C)(C)OC(=NC1CCC2=C(C1)SC(=N2)Br)O

Description

tert-Butyl (2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate features a brominated tetrahydrobenzothiazole core with a bench-stable carbamate protecting group. This module integrates readily into late-stage functionalization workflows, enabling direct coupling via palladium-catalyzed cross-coupling reactions. The electron-deficient heterocycle facilitates selective derivatization in complex molecular scaffolds.

Application

tert-Butyl (2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate serves as a versatile building block for the synthesis of biologically relevant heterocycles. The bromine substituent enables palladium-catalyzed cross-coupling reactions, while the tert-butyl carbamate group provides stable protection of the amine. This combination offers excellent functional group tolerance, bench stability, and ease of purification, facilitating efficient access to complex scaffolds in medicinal chemistry and process development workflows.

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

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Computational Chemistry Data

  • TPSA   54.71
  • LogP   3.492
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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