Lot numbers can be found on the outside label of a product:
4-Bromo-2-(tert-butyl)phenol
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CAS No. 10323-39-4
- Cat. No. CS-0130915
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 10323-39-4
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General Information
- CAS No. 10323-39-4
- Cat. No. CS-0130915
- Purity ≥97%
- MDL No. None
- Storage RT, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₃BrO
- Molecular Weight 229.11
- Synonym(s) 4-Bromo-2-tert-butylphenol
- SMILES OC1=CC=C(Br)C=C1C(C)(C)C
Description
4-Bromo-2-(tert-butyl)phenol features a sterically hindered tert-butyl group flanking a brominated aromatic ring, enhancing stability and solubility in organic media. This electron-rich phenolic scaffold facilitates efficient coupling reactions and serves as a key intermediate in the synthesis of functionalized pharmaceuticals and agrochemicals.
Application
4-Bromo-2-(tert-butyl)phenol serves as a valuable building block in medicinal chemistry and agrochemical synthesis, offering a sterically hindered phenolic scaffold with orthogonal reactivity. The bromine atom enables palladium-catalyzed cross-coupling reactions, while the tert-butyl group provides steric protection and enhanced lipophilicity. This compound exhibits excellent bench stability, facilitates straightforward purification, and functions reliably in standard functional group transformations.
Synthesis
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Route1
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106-41-2 -
115-11-7
- ~88%
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In-stock
10323-39-4
References
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Galderma Research and Development Patent: US6346546 B1, 2002 ; Location in patent: Page column 29 ;
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Route2
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88-18-6
- ~99%
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In-stock
10323-39-4
References
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Williams, Anna B.; Weiser, Patrick T.; Hanson, Robert N.; Guenther, Julian R.; Katzenellenbogen, John A. Organic Letters, 2009 , vol. 11, # 23 p. 5370 - 5373
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Route3
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88-18-6
- ~%
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In-stock
23159-87-7 -
In-stock
10323-39-4
References
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Wischang, Diana; Hartung, Jens Tetrahedron, 2012 , vol. 68, # 46 p. 9456 - 9463
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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-H315-H319
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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 20.23
- LogP 3.4522
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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