tert-Butyl 5-amino-1H-indole-1-carboxylate

Name: tert-Butyl 5-amino-1H-indole-1-carboxylate
Brand: ChemScene
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CAS No. 166104-20-7
Cat. No. CS-W018798
Purity≥97%
MDL No.MFCD04114746

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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 5-amino-1H-indole-1-carboxylate|CS-W018798

Structure of 166104-20-7

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Description

tert-Butyl 5-amino-1H-indole-1-carboxylate delivers a bench-stable, moisture-tolerant scaffold for indole-based drug discovery. This protected amine integrates seamlessly into synthetic routes requiring selective functionalization at the 5-position. The tert-butyl ester facilitates purification and downstream deprotection under mild acidic conditions.

Application

tert-Butyl 5-amino-1H-indole-1-carboxylate serves as a versatile building block for indole-based scaffolds, enabling direct functionalization at the C5 position via amine-directed transformations. The tert-butyl carbamate group provides excellent bench stability and facilitates straightforward deprotection under mild acidic conditions. Its compatibility with standard coupling reactions and tolerance to diverse functional groups make it well-suited for medicinal chemistry campaigns targeting kinase inhibitors and CNS-active compounds.

General Information

CAS No. 166104-20-7
Cat. No. CS-W018798
Purity ≥97%
MDL No. MFCD04114746
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₆N₂O₂
Molecular Weight 232.28
Synonym(s) 1-Boc-5-Aminoindole
SMILES O=C(N1C=CC2=C1C=CC(N)=C2)OC(C)(C)C

Computational Chemistry Data

TPSA 57.25
LogP 3.0067
H_Acceptors 4
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

Quality Control

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Indole compounds

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tert-Butyl 5-amino-1H-indole-1-carboxylate

CAS No. 166104-20-7

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