2-[(2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl 4-methylbenzene-1-sulfonate
Basic information
- CAS
303176-46-7- Standard SMILES
Cc1ccc(S(=O)(=O)OC[C@@H](O)[C@H]2CCc3cc(F)ccc3O2)cc1- InChIKey
SRYHEPKRXGABEM-SJLPKXTDSA-N- Molecular formula
- C18H19FO5S
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.09372304
Names & identifiers
- Preferred name
- 2-[(2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl 4-methylbenzene-1-sulfonate
- IUPAC
- [(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate
- English name
- (1’R,2R)-2-(2’-Tosyl-1’,2’-dihydroxyethyl)-6-fluorochromane
- Molecular formula
- C18H19FO5S
- Molecular weight
- 366.4
Names & synonyms
303176-46-72-[(2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl 4-methylbenzene-1-sulfonate[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate(1'R,2R)-2-(2'-Tosyl-1',2'-dihydroxyethyl)-6-fluorochromaneSCHEMBL8503484DTXSID50586506(R)-2-((R)-6-Fluorochroman-2-yl)-2-hydroxyethyl 4-methylbenzenesulfonate(1R,2R)-2-(2-Tosyl-1,2-dihydroxyethyl)-6-fluorochromane(2R)-2-[(2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl 4-methylbenzene-1-sulfonate(1’R,2R)-2-(2’-Tosyl-1’,2’-dihydroxyethyl)-6-fluorochromane(1′R,2R)-2-(2′-Tosyl-1′,2′-dihydroxyethyl)-6-fluorochromane, CAS 303176-46-7(1R)-1-[(2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-1,2-ethanediol 2-(4-Methylbenzenesulfonate)
Show more names
1,2-Ethanediol, 1-[(2R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-, 2-(4-methylbenzenesulfonate), (1R)-
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 526
Physicochemical properties
- Boiling point
- 540.4 · 540.4±50.0 °C(Predicted)
- Density
- 1.34 · 1.340±0.06 g/cm3(Predicted)
- solubility
- Dichloromethane, Ethyl Acetate, Methanol
- pka
- 13.59 · 13.59±0.20(Predicted)
- form
- Solid
- color
- Pale Brown
Chemistry & industry
Applications
Uses(+)-Nebivolol intermediates.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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