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

Name: tert-Butyl (2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate
Brand: ChemScene
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CAS No. 1251009-79-6
Cat. No. CS-0038758
Purity≥97%
MDL No.None

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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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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.

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

Computational Chemistry Data

TPSA 54.71
LogP 3.492
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

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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Other Classifications

Building Blocks Functional Group Amine

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Thiazole compounds

Key Words

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

CAS No. 1251009-79-6

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