| Identification | Back Directory | [Name]
5-[(4-Methylphenyl)sulfonyl]-3-oxopentanoic acid ethyl ester | [CAS]
1093348-62-9 | [Synonyms]
Ethyl 5-[(4-methylphenyl)sulfonyl]-3-oxopentanoate 95%
Ethyl 5-[(4-methylphenyl)sulfonyl]-3-oxopentanoate
5-[(4-Methylphenyl)sulfonyl]-3-oxopentanoic acid ethyl ester
Pentanoic acid, 5-[(4-methylphenyl)sulfonyl]-3-oxo-, ethyl ester | [Molecular Formula]
C14H18O5S | [MDL Number]
MFCD15144875 | [MOL File]
1093348-62-9.mol | [Molecular Weight]
298.35 |
| Chemical Properties | Back Directory | [Melting point ]
42-46°C | [Boiling point ]
463.9±45.0 °C(Predicted) | [density ]
1?+-.0.06 g/cm3(Predicted) | [Fp ]
>110℃ | [form ]
solid | [pka]
10.15±0.46(Predicted) | [InChI]
1S/C14H18O5S/c1-3-19-14(16)10-12(15)8-9-20(17,18)13-6-4-11(2)5-7-13/h4-7H,3,8-10H2,1-2H3 | [InChIKey]
APRUPJUUTCSBAE-UHFFFAOYSA-N | [SMILES]
CCOC(=O)CC(=O)CCS(=O)(=O)c1ccc(C)cc1 |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
36 | [Safety Statements ]
26 | [WGK Germany ]
nwg | [Storage Class]
13 - Non Combustible Solids | [Hazard Classifications]
Eye Dam. 1 |
| Hazard Information | Back Directory | [Uses]
Ethyl 5-[(4-methylphenyl)sulfonyl]-3-oxopentanoate can be used as a reactant to prepare:
- Ethyl 3-oxopent-4-enoate (Nazarov′s reagent) via base-induced β-elimination reaction. Nazarov′s reagent can be employed as an anulating agent in Robinson annulation of cyclic β-diketones and cycloalkanones.
- γ-pyrones via triflic anhydride-mediated electrophilic condensation reaction.
| [reaction suitability]
reaction type: C-C Bond Formation |
|
| Company Name: |
Sigma-Aldrich
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021-61415566 800-8193336 |
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https://www.sigmaaldrich.cn |
| Company Name: |
Energy Chemical
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400-0056266 |
| Website: |
www.energy-chemical.com |
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