tert-Butyl 4-formyl-5-methoxy-7-methyl-1H-indole-1-carboxylate

Name: tert-Butyl 4-formyl-5-methoxy-7-methyl-1H-indole-1-carboxylate
Brand: ChemScene
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CAS No. 1481631-51-9
Cat. No. CS-W020158
Purity≥95%
MDL No.MFCD30609524

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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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tert-Butyl 4-formyl-5-methoxy-7-methyl-1H-indole-1-carboxylate|CS-W020158

Structure of 1481631-51-9

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General Information

CAS No. 1481631-51-9
Cat. No. CS-W020158
Purity ≥95%
MDL No. MFCD30609524
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₁₉NO₄
Molecular Weight 289.33
Synonym(s) tert-pentyl 4-formyl-5-methoxy-1H-indole-7-carboxylate
SMILES O=C(N1C=CC2=C1C(C)=CC(OC)=C2C=O)OC(C)(C)C

Description

tert-Butyl 4-formyl-5-methoxy-7-methyl-1H-indole-1-carboxylate features a formyl group at C4, a methoxy substituent at C5, and a methyl group at C7 on the indole core, enabling direct functionalization in late-stage diversification. The tert-butyl ester provides stability and ease of deprotection under mild acidic conditions. This scaffold supports rapid access to biologically active indole derivatives.

Application

tert-Butyl 4-formyl-5-methoxy-7-methyl-1H-indole-1-carboxylate serves as a versatile building block for indole-based scaffolds, enabling efficient access to functionalized heterocycles via formyl group reactivity. The protected indole core exhibits bench stability and tolerates diverse reaction conditions, facilitating subsequent transformations such as reductive amination, Mannich reactions, or coupling protocols. Its methoxy and methyl substituents provide defined electronic and steric profiles, enhancing synthetic predictability in medicinal chemistry and process development workflows.

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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Computational Chemistry Data

TPSA 57.53
LogP 3.55402
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic heterocycle compounds Indole compounds

Key Words

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tert-Butyl 4-formyl-5-methoxy-7-methyl-1H-indole-1-carboxylate

CAS No. 1481631-51-9

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