tert-Butyl 4-aminoisoindoline-2-carboxylate

Name: tert-Butyl 4-aminoisoindoline-2-carboxylate
Brand: ChemScene
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CAS No. 871013-98-8
Cat. No. CS-W023007
Purity≥95%
MDL No.MFCD10566550

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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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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tert-Butyl 4-aminoisoindoline-2-carboxylate|CS-W023007

Structure of 871013-98-8

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Description

tert-Butyl 4-aminoisoindoline-2-carboxylate features a bench-stable, electron-rich isoindoline core with a pendant amino group enabling downstream functionalization. This derivative integrates readily into complex heterocyclic architectures, offering high solubility in common organic solvents and compatibility with standard coupling protocols.

Application

tert-Butyl 4-aminoisoindoline-2-carboxylate serves as a versatile scaffold for the synthesis of isoindoline-based pharmaceutical intermediates. The protected amine and carboxylate functionalities enable sequential transformations, including Pd-catalyzed couplings and reductive amination. Its bench-stable nature and compatibility with standard purification protocols facilitate efficient access to complex heterocyclic architectures in medicinal chemistry workflows.

General Information

CAS No. 871013-98-8
Cat. No. CS-W023007
Purity ≥95%
MDL No. MFCD10566550
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₈N₂O₂
Molecular Weight None
Synonym(s) 4-Amino-1,3-dihydro-isoindole-2-carboxylic acid tert-butyl ester
SMILES O=C(N1CC2=C(C(N)=CC=C2)C1)OC(C)(C)C

Computational Chemistry Data

TPSA 55.56
LogP 2.5195
H_Acceptors 3
H_Donors 1
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 Amine

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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tert-Butyl 4-aminoisoindoline-2-carboxylate

CAS No. 871013-98-8

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