CAS No.:1116-77-4
Chemical Name: 4,4-Diethoxy-N,N-dimethyl-1-butanamine
CAS No.: 1116-77-4
Molecular Formula: C10H23NO2
Chemical Structure:
Molecular Weight: 189.3
4,4-Diethoxy-N,N-dimethyl-1-butanamine CAS 1116-77-4
Description
4,4-Diethoxy-N,N-dimethyl-1-butanamine
Chemical Name: 4,4-Diethoxy-N,N-dimethyl-1-butanamine
CAS No.: 1116-77-4
Molecular Formula: C10H23NO2
Chemical Structure:
Molecular Weight: 189.3
4,4-Diethoxy-N,N-dimethyl-1-butanamine Chemical Properties
| Boiling point | 194-195C |
| density | 0.844 g/mL at 25 °C(lit.) |
| refractive index | n20/D 1.421(lit.) |
| Fp | 158 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform, Ethyl Acetate |
| form | Oil |
| pka | 9.71±0.28(Predicted) |
| color | Colourless to Pale Yellow |
| InChI | InChI=1S/C10H23NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-9H2,1-4H3 |
| InChIKey | QKXMWBLNSPNBEY-UHFFFAOYSA-N |
| SMILES | C(N(C)C)CCC(OCC)OCC |
4,4-Diethoxy-N,N-dimethyl-1-butanamine Chemical Properties,Uses,Production
Chemical Properties
Light yellow liquid
Uses
4,4-Diethoxy-N,N-dimethyl-1-butanamine is used in organic synthesis and pharmaceutical intermediates, it is an intermediate for Sumatriptan, Rizatriptan, Almotriptan, Zolmitriptan.
Application
4-Dimethylaminobutyraldehyde Diethyl Acetal (Zolmitriptan USP Related Compound H) is used in the preparation of N,N-Dimethyltryptamines, 5-HT1D receptor agonists, for medicinal treatments such as antimigraine drugs.
Preparation
4-Dimethylaminobutyraldehyde diethyl acetal synthesis: The reaction of 1-bromo-3-chloro propane and dimethylamine solution with PEG as a phase transfer catalyst, and obtained 3-dimethylamino-1-chloro propane. 3-dimethylamino-1-chloro propane reacted with magnesium and Grinard reagent was acquired. 4-Dimethylaminobutyraldehyde diethyl acetal is obtained by the reaction of Grinard reagent and triethyl orthoformate. The yield was 70.11%.