tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate

CAS No. 258515-65-0
Cat. No. CS-W005373
Purity≥96%
MDL No.MFCD08752229

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tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-W005373

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Description

tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate features a brominated dihydroisoquinoline scaffold with a bench-stable tert-butyl ester handle. This electrophilic building block integrates readily into Pd-catalyzed cross-coupling reactions, enabling streamlined access to functionalized isoquinoline architectures in medicinal chemistry and materials synthesis.

Application

tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate serves as a versatile building block for the synthesis of isoquinoline-based scaffolds in medicinal chemistry. The bromo group enables palladium-catalyzed cross-coupling reactions, while the tert-butyl carbamate protects the nitrogen. Its bench-stable nature and compatibility with standard coupling protocols facilitate efficient access to complex heterocycles.

General Information

CAS No. 258515-65-0
Cat. No. CS-W005373
Purity ≥96%
MDL No. MFCD08752229
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₈BrNO₂
Molecular Weight 312.20
Synonym(s) tert-butyl 7-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
SMILES CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(Br)C=C2

Computational Chemistry Data

TPSA 29.54
LogP 3.7423
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

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 Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Tetrahydroisoquinoline compounds

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tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate

CAS No. 258515-65-0

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