Lot numbers can be found on the outside label of a product:
4-(4-(Dimethylamino)phenyl)buten-2-one
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CAS No. 5432-53-1
- Cat. No. CS-0137231
- Purity≥97%
- MDL No.MFCD00052839
*For research and further manufacturing use only, not for direct human use.
Structure of 5432-53-1
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General Information
- CAS No. 5432-53-1
- Cat. No. CS-0137231
- Purity ≥97%
- MDL No. MFCD00052839
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₅NO
- Molecular Weight 189.25
- Synonym(s) 4-(4-DIMETHYLAMINO-PHENYL)-BUT-3-EN-2-ONE
- SMILES CC(/C=C/C1=CC=C(N(C)C)C=C1)=O
Description
4-(4-(Dimethylamino)phenyl)buten-2-one features a conjugated enone system flanked by an electron-rich aniline moiety, enabling efficient participation in Michael additions and Diels–Alder reactions. This bench-stable compound integrates readily into synthetic pathways requiring extended π-conjugation and tunable electronic properties.
Application
4-(4-(Dimethylamino)phenyl)buten-2-one serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted anilines and heterocyclic scaffolds via Michael addition and condensation reactions. Its conjugated enone system exhibits robust reactivity under mild conditions, with good bench stability and straightforward purification. The dimethylamino group enhances electron donation, facilitating downstream functionalization in medicinal chemistry and materials science applications.
Synthesis
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Route1
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In-stock
100-10-7 -
67-64-1 - ~97%
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In-stock
5432-53-1
References
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Kesten, Stephen J.; Degnan, Margaret J.; Hung, Jocelyn; McNamara, Dennis J.; Ortwine, Daniel F.; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 19 p. 3429 - 3447
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Route2
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123-75-1
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In-stock
100-10-7
- ~%
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In-stock
5432-53-1
References
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US5214151 A1, ;
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Route3
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In-stock
20432-35-3 - ~%
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In-stock
5432-53-1
References
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Chemische Berichte, , vol. 119, # 6 p. 1772 - 1800
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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 20.31
- LogP 2.3548
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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