Lot numbers can be found on the outside label of a product:
5-Phenylcyclohexane-1,3-dione
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CAS No. 493-72-1
- Cat. No. CS-W004743
- Purity≥98%
- MDL No.MFCD00051846
*For research and further manufacturing use only, not for direct human use.
Structure of 493-72-1
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General Information
- CAS No. 493-72-1
- Cat. No. CS-W004743
- Purity ≥98%
- MDL No. MFCD00051846
- Storage 4°C, protect from light, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₂O₂
- Molecular Weight 188.22
- Synonym(s) 1,3-Cyclohexanedione, 5-phenyl-
- SMILES O=C1CC(CC(C2=CC=CC=C2)C1)=O
Description
5-Phenylcyclohexane-1,3-dione features a conjugated diketone scaffold flanked by an aryl substituent, enabling participation in asymmetric synthesis and cycloaddition reactions. This bench-stable, moisture-tolerant compound integrates readily into complex molecular architectures via enolate chemistry or transition-metal-catalyzed coupling processes.
Application
5-Phenylcyclohexane-1,3-dione serves as a versatile scaffold for heterocyclic synthesis and functional group manipulation. Its diketone functionality enables robust enolization and condensation reactions, facilitating the construction of fused polycycles and biologically relevant frameworks. The phenyl substituent enhances stability and provides a handle for further derivatization. This compound exhibits excellent bench stability, simplifies purification, and demonstrates broad compatibility in standard organic transformations.
Synthesis
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Route1
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122-57-6 -
105-53-3 - ~%
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In-stock
493-72-1
References
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Han, Guang-Fan; Cui, Bin; Chen, Li-Zhuang; Wang, Rui-Hua; Jin, Yan Journal of Heterocyclic Chemistry, 2011 , vol. 48, # 2 p. 312 - 316 Title/Abstract Full Text View citing articles Show Details Han, Guang-Fan; Cui, Bin; Chen, Li-Zhuang; Hu, Xiao-Lei Journal of Heterocyclic Chemistry, 2012 , vol. 49, # 1 p. 195 - 199
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Route2
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In-stock
1896-62-4 -
105-53-3
- ~95%
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In-stock
493-72-1
References
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Tada, Masahiro; Takakuwa, Takako; Nagai, Masashi; Yoshii, Takao Agricultural and Biological Chemistry, 1990 , vol. 54, # 11 p. 3061 - 3063
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Route3
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In-stock
103-36-6 -
67-64-1
- ~54%
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In-stock
493-72-1
References
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Sharma, Dharminder; Shil, Arun K.; Singh, Bikram; Das, Pralay Synlett, 2012 , vol. 23, # 8 p. 1199 - 1204
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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 34.14
- LogP 2.0923
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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