tert-Butyl 6-hydroxy-1H-indole-1-carboxylate

Name: tert-Butyl 6-hydroxy-1H-indole-1-carboxylate
Brand: ChemScene
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CAS No. 898746-82-2
Cat. No. CS-W023020
Purity≥97%
MDL No.MFCD08272252

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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 6-hydroxy-1H-indole-1-carboxylate|CS-W023020

Structure of 898746-82-2

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Description

tert-Butyl 6-hydroxy-1H-indole-1-carboxylate features a hydroxylated indole core with a tert-butyl ester handle, offering enhanced solubility and stability under standard conditions. The electron-rich indole scaffold enables direct functionalization at C6, while the protecting group facilitates selective deprotection and downstream coupling in complex molecule synthesis.

Application

tert-Butyl 6-hydroxy-1H-indole-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling regioselective functionalization at the 6-position of the indole core. The protected hydroxyl group offers enhanced stability and facilitates downstream transformations, including etherification, oxidation, or coupling reactions. Its bench-stable nature and compatibility with standard synthetic protocols make it well-suited for the construction of complex heterocyclic scaffolds and drug-like molecules.

General Information

CAS No. 898746-82-2
Cat. No. CS-W023020
Purity ≥97%
MDL No. MFCD08272252
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₅NO₃
Molecular Weight 233.26
Synonym(s) N-BOC-6-METHOXYINDOLE
SMILES CC(C)(C)OC(=O)N1C=CC2=C1C=C(O)C=C2

Computational Chemistry Data

TPSA 51.46
LogP 3.1301
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

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Other Classifications

Building Blocks Functional Group Phenol

Building Blocks Skeleton Aromatic heterocycle compounds Indole compounds

Key Words

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tert-Butyl 6-hydroxy-1H-indole-1-carboxylate

CAS No. 898746-82-2

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