tert-Butyl 3-oxoindoline-1-carboxylate

Name: tert-Butyl 3-oxoindoline-1-carboxylate
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CAS No. 369595-01-7
Cat. No. CS-0499265
Molecule weight233.26
Purity≥96%
MDL No.None

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tert-Butyl 3-oxoindoline-1-carboxylate|CS-0499265

Structure of 369595-01-7

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General Information

CAS No. 369595-01-7
Cat. No. CS-0499265
Purity ≥96%
MDL No. None
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₅NO₃
Molecular Weight 233.26
Synonym(s) Tert-butyl 3-oxo-1-indolinecarboxylate
SMILES O=C(N1CC(C2=C1C=CC=C2)=O)OC(C)(C)C

Description

tert-Butyl 3-oxoindoline-1-carboxylate features a sterically hindered tert-butyl ester group that enhances stability and simplifies purification. The molecule integrates a fused indoline scaffold with a ketone at the 3-position, enabling direct functionalization in synthetic sequences. This combination supports efficient access to complex heterocyclic architectures under standard conditions.

Application

tert-Butyl 3-oxoindoline-1-carboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to indoline-based scaffolds prevalent in medicinal chemistry. The molecule combines a readily reducible ketone with a stable carbamate-protected amine, offering orthogonal functional group reactivity. It facilitates reductive amination, nucleophilic addition, and transition-metal-catalyzed coupling reactions under mild conditions. Its bench-stable nature and ease of purification support scalable synthesis of complex heterocycles and API intermediates.

Safety Information

Download SDS

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 46.61
LogP 2.6244
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Indolin compounds

Key Words

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tert-Butyl 3-oxoindoline-1-carboxylate

CAS No. 369595-01-7

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