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(4S-trans)-2,2-Dimethyl-1,3-dioxolan-4,5-dimethylbis(toluol-p-sulfonat)
(4R,5R)-(-)-O-ISOPROPYLIDENE-2,3-DIHYDROXY-1,4-BIS(P-TOSYL)BUTANE · ((4S,5S)-2,2-diMethyl-1,3-dioxolane-4,5-diyl)bis(Methylene) bis(4-Methylbenzenesulfonate) · 95.0%(LC) · Gal[2346Ac]β(1-3)GalN3[46Bzd]-β-MP>Neu5Ac[1Me,4789Ac]α(2-3)Gal[246Bz]-β-MP>2,3-ISOPROPYLIDENE-L-THREITOL 1,4-DITOSYLATE · 1,4-DI-O-TOSYL-2,3-O-ISOPROPYLIDENE-L-THREITOL · (-)-1,4-Ditosyl-2,3,O-isopropylidene-L-threitol · (-)-1,4-Di-O-tosyl-2,3-O-isopropyledenethreitol · (-)-1,4-Di-O-tosyl-2,3-O-isopropylidenethreitol
Identifikatoren & physikalische Daten
| CAS No. | 37002-45-2 |
|---|---|
| Summenformel | C21H26O8S2 |
| Durchschnittliche Molmasse | 470,6 g/mol |
| Monoisotopische Masse | 470,10690979 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)OC[C@@H]2OC(C)(C)O[C@H]2COS(=O)(=O)c2ccc(C)cc2)cc1 |
| InChIKey | KPFDKWNWYAXRNJ-PMACEKPBSA-N |
| PubChem CID | 97439 |
| EC No. | 253-306-3 |
| DTXSID | DTXSID60958179 |
| Lokaler Name | (4S-trans)-2,2-Dimethyl-1,3-dioxolan-4,5-dimethylbis(toluol-p-sulfonat) |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 122 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 31 |
| Formalladung | 0 |
| Komplexität | 714 |
| Schmelzpunkt | 90-92 °C(lit.) |
| Siedepunkt | 542.03°C (rough estimate) |
| Dichte | 1.3082 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | DCM, Ethyl Acetate |
| Aggregatzustand | Powder |
| Farbe | white |
| BRN | 99610 |
| Stabilität | store cold |
| InChI | InChI=1/C21H26O8S2/c1-15-5-9-17(10-6-15)30(22,23)26-13-19-20(29-21(3,4)28-19)14-27-31(24,25)18-11-7-16(2)8-12-18/h5-12,19-20H,13-14H2,1-4H3/t19-,20-/s3 |
| InChIKey | KPFDKWNWYAXRNJ-XEBFJNFFNA-N |
| SMILES | [C@@H]1(COS(=O)(=O)C2C=CC(C)=CC=2)OC(C)(C)O[C@H]1COS(=O)(=O)C1C=CC(C)=CC=1 |&1:0,18,r| |
| CAS Datenbank | 37002-45-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, bis(4-methylbenzenesulfonate), (4S,5S)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2932.99.7000 |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
1,4-Di-O-tosyl-2,3-O-isopropylidene-L-threitol has been used in coordination chemistry of (R,R)-DIPPOP.