tert-Butyl 5-bromoindoline-1-carboxylate

Name: tert-Butyl 5-bromoindoline-1-carboxylate
Brand: ChemScene
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CAS No. 261732-38-1
Cat. No. CS-W003449
Purity≥96%
MDL No.MFCD08059280

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FedEx Limited Quantities Ground	$0.00
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tert-Butyl 5-bromoindoline-1-carboxylate|CS-W003449

Structure of 261732-38-1

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Description

tert-Butyl 5-bromoindoline-1-carboxylate features a brominated indoline scaffold with a tert-butyl ester group, enabling direct incorporation into cross-coupling reactions. The electron-deficient bromide facilitates palladium-catalyzed transformations, while the bench-stable ester protects the amine during multistep synthesis. This compound serves as a key intermediate for bioactive heterocycles and pharmaceutical candidates.

Application

tert-Butyl 5-bromoindoline-1-carboxylate serves as a versatile building block for the synthesis of indoline-based pharmaceutical intermediates. The bromo group enables palladium-catalyzed cross-coupling reactions, while the tert-butyl carbamate protects the nitrogen under standard conditions. Its bench-stable nature and compatibility with diverse functional groups facilitate efficient access to complex heterocyclic scaffolds in medicinal chemistry workflows.

General Information

CAS No. 261732-38-1
Cat. No. CS-W003449
Purity ≥96%
MDL No. MFCD08059280
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₆BrNO₂
Molecular Weight 298.18
Synonym(s) 5-Bromo-2,3-dihydroindole-1-carboxylic acid tert-butyl ester
SMILES O=C(N1CCC2=C1C=CC(Br)=C2)OC(C)(C)C

Computational Chemistry Data

TPSA 29.54
LogP 3.7467
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Safety Information

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GHS Pictogram :	GHS No : GHS06,GHS09
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335-H410
Precautionary Statements : P261-P273-P501

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Indolin compounds

Key Words

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tert-Butyl 5-bromoindoline-1-carboxylate

CAS No. 261732-38-1

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