2,2-Dimethoxyethylamin
2,2-Dimethoxyethanamine · AMINOACETALDEHYDE DIMETHYL ACETAL · 2,2-DIMETHOXYETHYLAMINE · 2,2-dimethoxy-ethanamin · AMINOACETOLDEHYDE DIMETHYL ACETOL · 2,2-Dimethyethanamine · 2-AMINOACETALDEHYDE DIMETHYLACETAL · Aminoacetaldehyde dimethyl acetal ,98%
Identifikatoren & physikalische Daten
| CAS No. | 22483-09-6 |
|---|---|
| Summenformel | C4H11NO2 |
| Durchschnittliche Molmasse | 105,14 g/mol |
| Monoisotopische Masse | 105,07897859 g/mol |
| SMILES | COC(CN)OC |
| InChIKey | QKWWDTYDYOFRJL-UHFFFAOYSA-N |
| PubChem CID | 89728 |
| EC No. | 245-026-5 |
| DTXSID | DTXSID7066803 |
| Lokaler Name | 2,2-Dimethoxyethylamin |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 36,7 |
| SpringerMaterials Properties | Optical coefficient |
| Dichte | 0.957 @25 °C0.965 g/mL at 25 °C (lit.) |
| Siedepunkt | 128 °C @760 [mm Hg]135-139 °C/95 mmHg (lit.) |
| Schmelzpunkt | -45 °C-78°C |
| Dampfdruck | 7.5 [mm Hg] @20 °C |
| Brechungsindex | n20/D 1.417(lit.) |
| Flammpunkt | 128 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | soluble in Chloroform, Methanolmiscible |
| pKa (Säurekonstante) | 6.95±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to pale yellow |
| BRN | 741868 |
| InChI | 1S/C4H11NO2/c1-6-4(3-5)7-2/h4H,3,5H2,1-2H3 |
| InChIKey | QKWWDTYDYOFRJL-UHFFFAOYSA-N |
| SMILES | COC(CN)OC |
| CAS Datenbank | 22483-09-6(CAS DataBase Reference) |
| NIST chemische Informationen | Aminoacetaldehyde dimethyl acetal(22483-09-6) |
| EPA chemische Informationen | Ethanamine, 2,2-dimethoxy- (22483-09-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.4% (1 of 69) of reports.DangerH226 (98.6%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 69 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanamine, 2,2-dimethoxy-Status: Active Update: 04-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21032Aminoacetaldehyde dimethyl acetal: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (98.6%) |
| Protective Action Criteria (PAC) | 12 [mg/m3]130 [mg/m3]790 [mg/m3] |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29225000 |
| R-Sätze (R) | 10-34-36/37/38 |
| Gefahrensymbole | C,F,Xi |
| hazard_note | Flammable/Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-16-36 |
| Gefahrenklasse | 3Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Beschreibung
Aminoacetaldehyde dimethyl acetal, also known as 2,2-dimethoxy-ethylamine, is a critical intermediate in the synthesis of ivabradine hydrochloride, proline analogs, praziquantel, and other raw materials. The existing process for producing aminoacetal dimethyl acetate uses vinyl acetate as the starting material, and the target product is synthesized through bromination, Gabriel synthesis, and hydrazinolysis.
Verwenden
Amino acetaldehyde dimethyl was used in preparation of chitosan- dendrimer hybrids having various functional groups such as carboxyl, ester and poly(ethylene glycol). It was used in an synthesis of a bicyclic proline analog from L-ascorbic acid and in 3-component reaction catalyzed by MgClO4 leading to α-aminophosphonates.