tert-Butyl 5-bromo-4-fluoroindoline-1-carboxylate

Name: tert-Butyl 5-bromo-4-fluoroindoline-1-carboxylate
Brand: ChemScene
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CAS No. 1337533-31-9
Cat. No. CS-0154724
Purity≥96%
MDL No.MFCD29760339

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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tert-Butyl 5-bromo-4-fluoroindoline-1-carboxylate|CS-0154724

Structure of 1337533-31-9

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General Information

CAS No. 1337533-31-9
Cat. No. CS-0154724
Purity ≥96%
MDL No. MFCD29760339
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₅BrFNO₂
Molecular Weight 316.17
Synonym(s) 2-Methyl-2-propanyl 5-bromo-4-fluoro-1-indolinecarboxylate
SMILES CC(C)(C)OC(=O)N1CCC2=C(C(=CC=C21)Br)F

Description

tert-Butyl 5-bromo-4-fluoroindoline-1-carboxylate features a bromo-substituted indoline scaffold with a fluoro group at the adjacent position, enabling selective functionalization in complex molecular architectures. The tert-butyl ester moiety provides enhanced stability and facilitates convenient deprotection under mild acidic conditions. This compound serves as a key intermediate in the synthesis of bioactive heterocycles and pharmaceutical candidates requiring precise halogen placement.

Application

tert-Butyl 5-bromo-4-fluoroindoline-1-carboxylate serves as a versatile building block for the synthesis of substituted indolines and related heterocyclic scaffolds. The bromo and fluoro substituents enable sequential cross-coupling reactions, while the tert-butyl carbamate group provides orthogonal protection and facilitates purification. Its bench-stable nature and compatibility with palladium-catalyzed transformations make it well-suited for iterative synthetic strategies in medicinal chemistry and process development.

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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Computational Chemistry Data

TPSA 29.54
LogP 3.8858
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Indolin compounds

Key Words

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tert-Butyl 5-bromo-4-fluoroindoline-1-carboxylate

CAS No. 1337533-31-9

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