Lot numbers can be found on the outside label of a product:
2-Acetyl-4-cyanophenol
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CAS No. 35794-84-4
- Cat. No. CS-W002371
- Purity≥98%
- MDL No.MFCD00100432
*For research and further manufacturing use only, not for direct human use.
Structure of 35794-84-4
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General Information
- CAS No. 35794-84-4
- Cat. No. CS-W002371
- Purity ≥98%
- MDL No. MFCD00100432
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇NO₂
- Molecular Weight 161.16
- Synonym(s) Benzonitrile, 3-acetyl-4-hydroxy- (6CI,7CI,9CI)
- SMILES N#Cc1ccc(c(c1)C(=O)C)O
Description
2-Acetyl-4-cyanophenol features a phenolic hydroxyl group flanked by an acetyl and cyano substituent, delivering high reactivity for downstream functionalization. This electron-deficient aromatic system enables efficient coupling in synthetic transformations, particularly in the development of bioactive heterocycles and pharmaceutical intermediates under standard conditions.
Application
2-Acetyl-4-cyanophenol serves as a versatile building block in synthetic organic chemistry, enabling access to functionalized heterocycles and pharmaceutical intermediates. Its ortho-acetyl and para-cyano groups provide complementary reactivity for nucleophilic substitution, cyclization, and metal-catalyzed coupling reactions. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.
Synthesis
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Route1
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13031-41-9 - ~59%
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In-stock
35794-84-4
References
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O'Brien, Nathan J.; Amran, Syazwani; Medan, Jelena; Cleary, Ben; Deady, Leslie W.; Jennings, Ian G.; Thompson, Philip E.; Abbott, Belinda M. ChemMedChem, 2013 , vol. 8, # 6 p. 914 - 918
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Route2
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In-stock
1450-75-5 - ~70%
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In-stock
35794-84-4
References
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Mackman, Richard Laurence Patent: US2002/45650 A1, 2002 ;
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Route3
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767-00-0 - ~%
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In-stock
35794-84-4
References
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Letters in Drug Design and Discovery, , vol. 7, # 6 p. 415 - 420
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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 61.09
- LogP 1.46648
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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