3-(Tert-butyl)-4-hydroxybenzaldehyde

Name: 3-(Tert-butyl)-4-hydroxybenzaldehyde
Brand: ChemScene
Availability: InStock
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CAS No. 65678-11-7
Cat. No. CS-0272559
Purity≥97%
MDL No.None

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3-(Tert-butyl)-4-hydroxybenzaldehyde|CS-0272559

Structure of 65678-11-7

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Description

3-(Tert-butyl)-4-hydroxybenzaldehyde features a sterically shielded tert-butyl group flanking a phenolic hydroxyl, enhancing stability and solubility in organic media. The aldehyde functionality enables direct coupling in Ullmann or Suzuki-Miyaura transformations. This electron-rich scaffold integrates readily into bioactive heterocycles and serves as a key intermediate in the synthesis of antioxidant analogs and functionalized aromatic building blocks.

Application

3-(Tert-butyl)-4-hydroxybenzaldehyde serves as a versatile building block in medicinal and synthetic chemistry, enabling efficient access to substituted phenolic scaffolds. Its ortho-tert-butyl group provides steric shielding and enhanced stability, while the aldehyde and hydroxyl functionalities offer complementary reactivity for coupling reactions, derivatization, and heterocycle formation. The compound exhibits excellent bench stability and is readily purified by recrystallization or flash chromatography, facilitating integration into multi-step syntheses and API intermediate development.

General Information

CAS No. 65678-11-7
Cat. No. CS-0272559
Purity ≥97%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₄O₂
Molecular Weight 178.23
Synonym(s) None
SMILES CC(C)(C)C1=C(C=CC(=C1)C=O)O

Computational Chemistry Data

TPSA 37.3
LogP 2.5022
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501

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Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-(Tert-butyl)-4-hydroxybenzaldehyde

CAS No. 65678-11-7

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