Cas no 81447-35-0 (2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-)
81447-35-0 structure
Product Name:2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-
CAS No:81447-35-0
MF:C12H14O5S
MW:270.301562786102
CID:703917
PubChem ID:9878550
Update Time:2025-04-19
2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-
- 2,4-dioxopentan-3-yl 4-methylbenzenesulfonate
- 1-acetyl-2-oxopropyl 4-methylbenzenesulfonate
- DTXSID50432236
- 81447-35-0
- 3-tosyloxypentane-2,4-dione
- SCHEMBL8738852
- 4-methyl-benzenesulfonic acid (1-acetyl-2-oxo-propyl) ester
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- Inchi: 1S/C12H14O5S/c1-8-4-6-11(7-5-8)18(15,16)17-12(9(2)13)10(3)14/h4-7,12H,1-3H3
- InChI Key: ZTXDMJCULYXNHV-UHFFFAOYSA-N
- SMILES: S(C1C=CC(C)=CC=1)(=O)(=O)OC(C(C)=O)C(C)=O
Computed Properties
- Exact Mass: 270.05619472g/mol
- Monoisotopic Mass: 270.05619472g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 398
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 85.9?2
2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]- Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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