(R)-(-)-2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-Toluenesulfonate
Grundinformationen
- CAS
23788-74-1- Standard-SMILES
Cc1ccc(S(=O)(=O)OC[C@H]2COC(C)(C)O2)cc1- InChIKey
SRKDUHUULIWXFT-LLVKDONJSA-N- Summenformel
- C13H18O5S
- Durchschnittliche Molmasse
- 286,35 g/mol
- Monoisotopische Masse
- 286,08749468
Namen und Bezeichner
- Bevorzugter Name
- (R)-(-)-2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-Toluenesulfonate
- IUPAC
- [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
- Englischer Name
- (R)-(-)-2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-toluenesulfonate
- Summenformel
- C13H18O5S
- Molmasse
- 286.35
Namen und Synonyme
(R)-(-)-2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-toluenesulfonateRefChem:407030628-843-523788-74-1(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonateMFCD00063233[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonateSCHEMBL562062DTXSID10946586[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzene-1-sulfonate(R)-2,2-Dimethyl-1,3-dioxolane-4-ylmethyl p-toluenesulfonatetoluene-4-sulfonic acid (R)-2,2-dimethyl-[1,3]dioxolan-4-ylmethyl ester
Weitere Namen anzeigen
RARECHEM AK HZ 0035(R)-O-ISOPROPYLIDENE GLYCEROL TOSYLATED-α,β-Isopropylideneglycerol-γ-tosylate(R)-3-TOSYLOXY-1,2-PROPANEDIOL ACETONIDE1,2-ISOPROPYLIDENE-SN-GLYCEROL 3-TOSYLATE1-O-Tosyl-2-O,3-O-isopropylidene-D-glycerin(R)-2,2-DIMETHYL-1,3-DIOXOLANE-4-METHANOL TOSYLATED-ALPHA,BETA-ISOPROPYLIDENEGLYCEROL-GAMMA-TOSYLATE(R)-1,2-O-ISOPROPYLIDENEGLYCEROL-3-TOLUENESULFONATE(R)-1,2-O-Isopropylideneglycerol-3-toluenesulphonate
(R)-(-)-2,2-Dimethyl-1,3-dioxolane-4-ylmethyl p-toluenesulfonate(R)-2,2-Dimethyl-1,3-dioxolane-4-methanol p-toluenesulfonateD-(-)-1,2-Isopropylideneglycerol 3-(p-Toluenesulfonate)(4R)-2,2-Dimethyl-1,3-dioxolane-4-methanol 4-methylbenzenesulfonate; (R)-2,2-Dimethyl-1,3-dioxolane-4-methanol 4-(r)-2,2-dimeth(r)-2,2-dimethyl-1,3-dioxolan-4-ylmethyl p-toluenesulfonate(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate #(R)-(2,2-Dimethyl-1,3-dioxolan-4-yl)-methyl 4-methylbenzenesulfonate
Datenbank-Bezeichner
- CAS
23788-74-1- PubChem CID
- 6993835
- DTXSID
DTXSID10946586- EC Number
- 628-843-5
- Nikkaji
- J1.075.065B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 70,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 390
Physikochemische Eigenschaften
- Schmelzpunkt
- 41 · 41-43 °C(lit.)
- Siedepunkt
- 398.71 °C · 398.71°C (rough estimate)
- Dichte
- 1.208 g/mL · 1.208 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.506(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Dichloromethane; Chloroform; Ethyl Acetate; Methanol; DMF;
- Aggregatzustand
- Oil
- Farbe
- Pale Brown
- BRN
- 89800 · 89800
- InChI
- InChI=1/C13H18O5S/c1-10-4-6-12(7-5-10)19(14,15)17-9-11-8-16-13(2,3)18-11/h4-7,11H,8-9H2,1-3H3/t11-/s3
- InChIKey
- SRKDUHUULIWXFT-LLVKDONJSA-N
- SMILES
- C1(C=CC(C)=CC=1)S(=O)(=O)OC[C@H]1COC(C)(C)O1 |&1:12,r|
- CAS Datenbank
- 23788 · 23788-74-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- F
- 10-21
- wgk
- 3
- hs_code
- 29329900
- risk_code
- 36/37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden(R)-(-)-2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-Toluenesulfonate is a chiral building block. It is used to prepare the antifungal agent ketoconazole. It is also used to prepare acyclic Nucleotide Analogs Derived from 8-Azapurines with antiviral activities.
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