4,4-Diethoxy-N,N-dimethyl-1-butanamine

- CAS No.
- 1116-77-4
- Chemical Name:
- 4,4-Diethoxy-N,N-dimethyl-1-butanamine
- Synonyms
- 4,4-diethoxy-N,N-diMethylbutan-1-aMine;Zolmitriptan USP RC H;1-Butanamine,4,4-diethoxy-N,N-;Zolmitriptan Related Compound H;4,4-Diethoxy-N-Dimethylbutylamine;(4,4-DIETHOXY-BUTYL)-DIMETHYL-AMINE;4,4-DIETHOXY-N,N-DIMETHYLBUTANAMINE;Zolmitriptan USP Related Compound H;4-DiMethylaMinobutanol diethylacetal;4,4-DIETHOXY-N, N-DIMETHYL-BUTYLAMINE
- CBNumber:
- CB7176364
- Molecular Formula:
- C10H23NO2
- Molecular Weight:
- 189.3
- MOL File:
- 1116-77-4.mol
- MSDS File:
- SDS
- Modify Date:
- 2025/4/3 17:28:52
Boiling point | 194-195C |
---|---|
Density | 0.844 g/mL at 25 °C(lit.) |
refractive index |
n |
Flash point | 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 |
CAS DataBase Reference | 1116-77-4(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
Symbol(GHS) | ![]() GHS05 |
|||||||||
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Signal word | Danger | |||||||||
Hazard statements | H318 | |||||||||
Precautionary statements | P280-P305+P351+P338+P310 | |||||||||
Hazard Codes | Xi,C | |||||||||
Risk Statements | 41-34-10-36/37/38 | |||||||||
Safety Statements | 26-36/37/39-16-37 | |||||||||
RIDADR | UN 3267 8 / PGIII | |||||||||
WGK Germany | 3 | |||||||||
HS Code | 29225090 | |||||||||
NFPA 704 |
|
4,4-Diethoxy-N,N-dimethyl-1-butanamine price More Price(4)
Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
---|---|---|---|---|---|---|---|
Sigma-Aldrich(India) | 647055 | 4,4-Diethoxy-N,N-dimethyl-1-butanamine | 1116-77-4 | 5G | ₹12037.4 | 2022-06-14 | Buy |
Sigma-Aldrich(India) | 647055 | 4,4-Diethoxy-N,N-dimethyl-1-butanamine | 1116-77-4 | 25G | ₹44317.55 | 2022-06-14 | Buy |
TCI Chemicals (India) | D3973 | 4-(Dimethylamino)butyraldehyde Diethyl Acetal min. 98.0 % | 1116-77-4 | 5G | ₹2900 | 2022-05-26 | Buy |
TCI Chemicals (India) | D3973 | 4-(Dimethylamino)butyraldehyde Diethyl Acetal min. 98.0 % | 1116-77-4 | 25G | ₹9700 | 2022-05-26 | Buy |
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%.
Synthesis Reference(s)
Tetrahedron Letters, 35, p. 2401, 1994 DOI: 10.1016/0040-4039(94)85230-8
4,4-Diethoxy-N,N-dimethyl-1-butanamine Preparation Products And Raw materials
Raw materials
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