Basic information
- CAS
111841-07-7- Standard SMILES
CC(=O)c1ccc(OC2CCCCO2)cc1O- InChIKey
IWZBNLQMMUTGFS-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- Ethanone, 1-[2-hydroxy-4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-
- IUPAC
- 1-[2-hydroxy-4-(oxan-2-yloxy)phenyl]ethanone
- English name
- 1-[2-Hydroxy-4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]ethanone
- Molecular formula
- C13H16O4
- Molecular weight
- 236.26
Names & synonyms
111841-07-7Ethanone, 1-[2-hydroxy-4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-1-[2-hydroxy-4-(oxan-2-yloxy)phenyl]ethanone1-(2-hydroxy-4-((tetrahydro-2H-pyran-2-yl)oxy)phenyl)ethan-1-one2-Hydroxy-4-(tetrahydropyran-2-yloxy)acetophenoneSCHEMBL2968461SCHEMBL30065877DTXSID90469268AKOS0302547841-{2-Hydroxy-4-[(oxan-2-yl)oxy]phenyl}ethan-1-one1-[2-Hydroxy-4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]ethanone
Database identifiers
- CAS
111841-07-7- PubChem CID
- 11601123
- DTXSID
DTXSID90469268
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 76 · 76–78°C
- solubility
- Chloroform, Dichloromethane, Methanol
- form
- Solid
- color
- Off-white
Chemistry & industry
Applications
UsesProtected 2',4'-Dihydroxyacetophenone (D450085).
UsesProtected 2'',4''-Dihydroxyacetophenone (D450085).
Preparation methods
PreparationObtained by reaction of 2,3-dihydropyran with resaceto-phenone in the presence of concentrated hydrochloric acid (some drops) at r.t. overnight (33%). In later runs, p-toluenesulfonic acid was used as catalyst.
Suppliers8 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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