Lot numbers can be found on the outside label of a product:
3-(tert-Butyl)benzaldehyde
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CAS No. 23039-28-3
- Cat. No. CS-0110008
- Purity≥97%
- MDL No.MFCD11100027
*For research and further manufacturing use only, not for direct human use.
Structure of 23039-28-3
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General Information
- CAS No. 23039-28-3
- Cat. No. CS-0110008
- Purity ≥97%
- MDL No. MFCD11100027
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₄O
- Molecular Weight 162.23
- Synonym(s) 3-Tert-butylbenzaldehyde
- SMILES O=CC1=CC=CC(C(C)(C)C)=C1
Description
3-(tert-Butyl)benzaldehyde features a sterically hindered tert-butyl group at the meta position, enhancing stability and reducing undesired side reactions. This electron-rich aldehyde integrates efficiently into synthetic sequences requiring robust aromatic handles, particularly in pharmaceutical intermediates and functional materials.
Application
3-(tert-Butyl)benzaldehyde serves as a valuable synthetic building block for the construction of functionalized aromatic scaffolds. Its electron-donating tert-butyl group enhances stability and modulates reactivity, enabling efficient imine formation, Wittig reactions, and coupling processes. The aldehyde functionality facilitates straightforward derivatization, while the bulky substituent provides steric protection and improved solubility in organic media. This compound is particularly useful in medicinal chemistry lead optimization and materials science applications requiring hindered aromatic aldehydes.
Synthesis
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Route1
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In-stock
3972-64-3 -
68-12-2 - ~83%
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In-stock
23039-28-3
References
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LG LIFE SCIENCES, LTD. Patent: WO2009/38411 A2, 2009 ; Location in patent: Page/Page column 37 ; WO 2009/038411 A2
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Route2
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In-stock
98-51-1 - ~%
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939-97-9
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In-stock
23039-28-3
References
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US2010/256421 A1, ; Page/Page column 3 ;
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Route3
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103668-96-8
- ~91%
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In-stock
23039-28-3
References
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Adams, Julian; Belley, Michel Journal of Organic Chemistry, 1986 , vol. 51, # 20 p. 3878 - 3881
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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-H315-H319-H335
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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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Quality Control
Computational Chemistry Data
- TPSA 17.07
- LogP 2.7966
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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