Lot numbers can be found on the outside label of a product:
2-(2-Hydroxypropan-2-yl)phenol
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CAS No. 3045-32-7
- Cat. No. CS-0047114
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 3045-32-7
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General Information
- CAS No. 3045-32-7
- Cat. No. CS-0047114
- Purity ≥97%
- MDL No. None
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₂O₂
- Molecular Weight 152.19
- Synonym(s) o-Hydroxy-α,α-diMethylbenzyl Alcohol
- SMILES OC(C)(C1=C(O)C=CC=C1)C
Description
This phenolic compound features a tert-butyl group flanking the hydroxyl-bearing aromatic ring, conferring enhanced steric protection and bench stability. The ortho-hydroxy substitution enables intramolecular hydrogen bonding, modulating reactivity and solubility in organic media. Ideal for synthesis of hindered antioxidants and functional polymers.
Application
2-(2-Hydroxypropan-2-yl)phenol serves as a stable, bench-friendly phenolic building block with enhanced solubility due to the tert-butyl group. It facilitates direct functionalization at the ortho position and functions effectively in palladium-catalyzed coupling reactions. The molecule’s steric protection minimizes undesired oxidation and enables straightforward purification, making it valuable for constructing complex heterocyclic scaffolds and advanced intermediates in medicinal chemistry workflows.
Synthesis
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Route1
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917-54-4 -
118-93-4 - ~64%
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In-stock
3045-32-7
References
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Cimarelli, Cristina; Palmieri, Gianni Tetrahedron, 1998 , vol. 54, # 51 p. 15711 - 15720
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Route2
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75-16-1
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118-93-4
- ~%
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In-stock
3045-32-7
References
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Taisho Pharmaceutical Co., Ltd.; Meiji Seika Kaisha, Ltd. Patent: EP2287173 A1, 2011 ; Location in patent: Page/Page column 59 ;
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Route3
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676-58-4
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119-36-8 - ~87%
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In-stock
3045-32-7
References
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Johnsson, Richard; Mani, Katrin; Cheng, Fang; Ellervik, Ulf Journal of Organic Chemistry, 2006 , vol. 71, # 9 p. 3444 - 3451
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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 : H315-H319
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Precautionary Statements : P264-P280-P302+P352-P362+P364
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Quality Control
Computational Chemistry Data
- TPSA 40.46
- LogP 1.6196
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 1
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Key Words
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