Lot numbers can be found on the outside label of a product:
3,5-Dimethyl-4-nitrophenol
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CAS No. 5344-97-8
- Cat. No. CS-0061140
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 5344-97-8
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General Information
- CAS No. 5344-97-8
- Cat. No. CS-0061140
- Purity ≥98%
- MDL No. None
- Storage RT, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₉NO₃
- Molecular Weight 167.16
- Synonym(s) 3,5-Dimethyl-4-nitropheno
- SMILES CC1=C(C(=CC(=C1)O)C)[N+](=O)[O-]
Description
3,5-Dimethyl-4-nitrophenol features a nitro-substituted aromatic ring flanked by two methyl groups, delivering enhanced electron deficiency at the para-position. This configuration supports stable participation in electrophilic coupling reactions and facilitates selective functionalization under mild conditions. The compound exhibits improved solubility in organic solvents compared to unsubstituted analogs, enabling straightforward integration into synthetic workflows.
Application
3,5-Dimethyl-4-nitrophenol serves as a valuable building block in synthetic organic chemistry, enabling the construction of substituted aromatic systems through established coupling and reduction protocols. Its nitro group facilitates electrophilic substitution and subsequent functionalization, while the methyl groups provide steric and electronic modulation. The compound exhibits bench stability and ease of purification, making it well-suited for use in medicinal chemistry campaigns and heterocyclic scaffold development.
Synthesis
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Route1
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108-68-9 - ~19%
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In-stock
5344-97-8
References
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Advanced Medicine, Inc. Patent: US6337423 B1, 2002 ; Location in patent: Example 4, 22 ; US 6337423 B1
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Route2
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19628-76-3
- ~%
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In-stock
5344-97-8
References
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VALEANT PHARMACEUTICALS INTERNATIONAL Patent: US2009/326059 A1, 2009 ; Location in patent: Page/Page column 16 ; US 20090326059 A1
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Route3
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52177-27-2
- ~60%
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In-stock
5344-97-8
References
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Bucher, Goetz; Sander, Wolfram Journal of Organic Chemistry, 1992 , vol. 57, # 5 p. 1346 - 1351
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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 63.37
- LogP 1.91724
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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