HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Brom-3,5-dimethyltricyclo[3.3.1.13,7]decan
MeMantine IMpurity B · Memantine impurity D · 1-Bromo-3,5-Dimethyl · MeMantine Related CoMpound D · (1r,3R,5S,7r)-1-bromo-3,5-dimethyladamantane · NSC 102293 · Memantine USP RC D · Adamantane Impurity D
![Molekülstruktur von 1-Brom-3,5-dimethyltricyclo[3.3.1.13,7]decan](/img/chemical/98317.png)
Identifikatoren & physikalische Daten
| CAS No. | 941-37-7 |
|---|---|
| Summenformel | C12H19Br |
| Durchschnittliche Molmasse | 243,18 g/mol |
| Monoisotopische Masse | 242,06701271 g/mol |
| SMILES | CC12CC3CC(C)(C1)CC(Br)(C3)C2 |
| InChIKey | QUCXLVDIVQWYJR-UHFFFAOYSA-N |
| PubChem CID | 98317 |
| EC No. | 213-378-9 |
| DTXSID | DTXSID00916495 |
| Lokaler Name | 1-Brom-3,5-dimethyltricyclo[3.3.1.13,7]decan |
Chemische & physikalische Eigenschaften
| XLogP | 5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 240 |
| Siedepunkt | 201 °C (lit.) |
| Dichte | 1.224 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.52(lit.) |
| Flammpunkt | 228 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Sparingly), Dichloromethane (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Colourless to Pale Yellow |
| Wichte | 1.224 |
| BRN | 1927514 |
| Hauptanwendungen | pharmaceutical small molecule |
| InChI | InChI=1S/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3 |
| InChIKey | QUCXLVDIVQWYJR-UHFFFAOYSA-N |
| SMILES | C12(Br)CC3(C)CC(CC(C)(C3)C1)C2 |
| CAS Datenbank | 941-37-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 89.3% (25 of 28) of all reports.WarningH315 (10.7%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 28 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 21-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/18951 |
| Hazard Classes and Categories | Skin Irrit. 2 (10.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2903890002 |
| R-Sätze (R) | 34-36 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Beschreibung
1-Bromo-3,5-dimethyladamantane is a precursor substance of memantine and memantine hydrochloride (MH), which can be synthesised by direct amination with thiourea. MH is an FDA-approved first-line treatment for moderate to severe Alzheimer's disease.
Verwenden
1-Bromo-3,5-dimethyladamantane was used in the one pot synthesis of 1,3-dicarbonyl adamantanes. It was also used in the synthesis of 3,5-dimethyladamantan-1-ol.