1-(4-Tolylsulfonyl)indole-3-carboxaldehyde

Name: 1-(4-Tolylsulfonyl)indole-3-carboxaldehyde
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CAS No. 50562-79-3
Cat. No. CS-0145147
Purity≥98%
MDL No.None

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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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1-(4-Tolylsulfonyl)indole-3-carboxaldehyde|CS-0145147

Structure of 50562-79-3

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General Information

CAS No. 50562-79-3
Cat. No. CS-0145147
Purity ≥98%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₁₃NO₃S
Molecular Weight 299.34
Synonym(s) 1-[(4-methylphenyl)sulfonyl]-1H-indole-3-carbaldehyde
SMILES O=CC1=CN(S(=O)(C2=CC=C(C)C=C2)=O)C3=C1C=CC=C3

Description

1-(4-Tolylsulfonyl)indole-3-carboxaldehyde features a reactive aldehyde group flanked by an electron-deficient indole core and a bulky tolylsulfonyl substituent. This combination enhances stability while enabling selective coupling reactions in synthetic medicinal chemistry. The molecule serves as a key intermediate for constructing complex heterocyclic scaffolds under mild conditions.

Application

1-(4-Tolylsulfonyl)indole-3-carboxaldehyde serves as a versatile building block in heterocyclic synthesis, enabling efficient access to indole-based scaffolds through electrophilic substitution and coupling reactions. The aldehyde functionality facilitates direct functionalization or conjugation, while the 4-tolylsulfonyl group provides excellent stability and orthogonal reactivity. This compound is particularly useful in medicinal chemistry campaigns requiring robust, bench-stable intermediates for API 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 56.14
LogP 2.99922
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic heterocycle compounds Indole compounds

Key Words

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1-(4-Tolylsulfonyl)indole-3-carboxaldehyde

CAS No. 50562-79-3

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