Lot numbers can be found on the outside label of a product:
3-(Tert-butyl)-4-hydroxybenzaldehyde
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CAS No. 65678-11-7
- Cat. No. CS-0272559
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 65678-11-7
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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
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.
Synthesis
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Route1
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67-66-3 -
88-18-6
- ~1%
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In-stock
65678-11-7
References
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Cheng, Xue Qin; Chen, Xingqiang; Hughes, Richard A.; Williams, Spencer J.; Woodman, Owen L. Journal of Medicinal Chemistry, 2008 , vol. 51, # 6 p. 1874 - 1884
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Route2
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88-18-6
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93-61-8
- ~18%
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In-stock
65678-11-7
References
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Katsumi; Kondo; Yamashita; Hidaka; Hosoe; Watanabe Chemical and Pharmaceutical Bulletin, 1986 , vol. 34, # 1 p. 121 - 129
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Route3
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67-56-1
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88-18-6
- ~40%
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In-stock
65678-11-7
References
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Michel, Fabien; Thomas, Fabrice; Hamman, Sylvain; Philouze, Christian; Saint-Aman, Eric; Pierre, Jean-Louis European Journal of Inorganic Chemistry, 2006 , # 18 p. 3684 - 3696
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H312-H332
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501
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Quality Control
Computational Chemistry Data
- TPSA 37.3
- LogP 2.5022
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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