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

Name: tert-Butyl 7-bromo-3,4-dihydroquinoline-1(2H)-carboxylate
Brand: ChemScene
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CAS No. 1187932-64-4
Cat. No. CS-0041041
Purity≥97%
MDL No.None

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tert-Butyl 7-bromo-3,4-dihydroquinoline-1(2H)-carboxylate|CS-0041041

Structure of 1187932-64-4

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Description

tert-Butyl 7-bromo-3,4-dihydroquinoline-1(2H)-carboxylate features a brominated dihydroquinoline core with a bench-stable tert-butyl ester handle. This scaffold enables direct coupling in cross-coupling reactions and serves as a key intermediate for synthesizing functionalized quinoline derivatives in medicinal chemistry and materials science.

Application

tert-Butyl 7-bromo-3,4-dihydroquinoline-1(2H)-carboxylate serves as a versatile building block for the synthesis of quinoline-based scaffolds in medicinal chemistry and materials science. The bromo group enables palladium-catalyzed cross-coupling reactions, while the protected carboxylic acid facilitates downstream functionalization. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for iterative synthesis workflows.

General Information

CAS No. 1187932-64-4
Cat. No. CS-0041041
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₈BrNO₂
Molecular Weight 312.20
Synonym(s) tert-butyl 7-bromo-3,4-dihydro-2H-quinoline-1-carboxylate
SMILES O=C(N1CCCC2=C1C=C(Br)C=C2)OC(C)(C)C

Computational Chemistry Data

TPSA 29.54
LogP 4.1368
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 Tetrahydroquinoline compounds

Key Words

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

CAS No. 1187932-64-4

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