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Cas Database |
| Name |
4,4-Diethoxy-N,N-dimethyl-1-butanamine |
EINECS | 601-109-1 |
| CAS No. | 1116-77-4 | Density | 0.884 g/cm3 |
| PSA | 21.70000 | LogP | 1.72730 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H23NO2 | Boiling Point | 230.7 °C at 760 mmHg |
| Molecular Weight | 189.298 | Flash Point | 62.6 °C |
| Transport Information | N/A | Appearance | Colorless to light-yellowish lucent liquid |
| Safety | 26-36/37/39 | Risk Codes | 41 |
| Molecular Structure |
|
Hazard Symbols |
 Xi, C
|
| Synonyms |
Butyraldehyde,4-(dimethylamino)-, diethyl acetal (7CI,8CI);4,4-Diethoxy-N,N-dimethylbutanamine;4-(Dimethylamino)butanal diethyl acetal; |
Article Data | 6 |
4,4-Diethoxy-N,N-dimethyl-1-butanamine Synthetic route
- 109-54-6
3-(Dimethylamino)propyl chloride
- 122-51-0
orthoformic acid triethyl ester
- 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine
| Conditions | Yield |
|---|---|
| With iodine; magnesium In benzene for 3.25 - 4.33333h; Heating / reflux; | 75.8% |
| With iodine; magnesium In cyclohexane for 5.25 - 6.33333h; Heating / reflux; | 72.8% |
| With magnesium In cyclohexane at 65 - 70℃; for 6h; |
- 14444-77-0
diethyl phenyl orthoformate
- 109-54-6
3-(Dimethylamino)propyl chloride
- 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine
| Conditions | Yield |
|---|---|
| Stage #1: 3-(Dimethylamino)propyl chloride With iodine; magnesium In benzene for 3.25 - 4.25h; Heating / reflux; Stage #2: diethyl phenyl orthoformate In benzene for 3h; | 72.7% |
| Conditions | Yield |
|---|---|
| With ethanolamine |
- 19070-16-7
3-(N,N-dimethylamino)propylmagnesium chloride
- 122-51-0
orthoformic acid triethyl ester
- 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide |
- 50-00-0
formaldehyd
- 6346-09-4
4-aminobutyrylaldehyde diethylacetal
- 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine
| Conditions | Yield |
|---|---|
| With titanium(IV) isopropylate; sodium tetrahydroborate 1.) diglyme, 60 deg C, 30 min then r.t., 30 min; 2.) diglyme, r.t., 2.5 h then 60 deg C, 2.5 h; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: methanol; sodium hydrogencarbonate 2: 2-amino-ethanol View Scheme |
- 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine
- 1427469-90-6
3-(4-((8Z,11Z)-heptadeca-8,11-dien-1-yl)-6-((9Z,12Z)-octadeca-9,12-dien-1-yl)-1,3-dioxan-2-yl)-N,N-dimethylpropan-1-amine
| Conditions | Yield |
|---|---|
| With pyridinium p-toluenesulfonate In toluene at 80℃; for 1h; | 68% |
| Conditions | Yield |
|---|---|
| (i) aq. HCl, (ii) NH2OH*HCl, aq. NaOH; Multistep reaction; |
- 1116-77-4
4,4-diethoxy-N,N-dimethyl-1-butanamine
A
- 104459-70-3
N,N-dimethyl-4-aminobutyraldehyde
| Conditions | Yield |
|---|---|
| With sulfuric acid Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
4,4-Diethoxy-N,N-dimethyl-1-butanamine Chemical Properties
Molecular Structure of 4,4-Diethoxy-N,N-dimethyl-1-butanamine (CAS NO.1116-77-4):
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Empirical Formula: C10H23NO2
Molecular Weight: 189.2951
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 21.7 Å2
Index of Refraction: 1.432
Molar Refractivity: 55.54 cm3
Molar Volume: 213.9 cm3
Surface Tension: 28 dyne/cm
Density: 0.884 g/cm3
Flash Point: 62.6 °C
Enthalpy of Vaporization: 46.73 kJ/mol
Boiling Point: 230.7 °C at 760 mmHg
Vapour Pressure: 0.0649 mmHg at 25°C
Product Categories: Amines; API intermediates; Intermediates of Rizatriptan
SMILES: O(CC)C(OCC)CCCN(C)C
InChI: InChI=1/C10H23NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-9H2,1-4H3
4,4-Diethoxy-N,N-dimethyl-1-butanamine Safety Profile
The Hazard Codes of 4,4-Diethoxy-N,N-dimethyl-1-butanamine (CAS NO.116-77-4):
Xi, 
C
The Risk Statements information:
10: Flammable
34: Causes burns
41: Risk of serious damage to eyes
The Safety Statements information:
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
WGK Germany: 3
4,4-Diethoxy-N,N-dimethyl-1-butanamine Specification
4,4-Diethoxy-N,N-dimethyl-1-butanamine , with CAS number of 1116-77-4, can be called 1-butanamine, 4,4-diethoxy-N,N-dimethyl- ; (4,4-Diethoxy-butyl)-dimethyl-amine ; N,N-Dimethyl-4-aminobutanal diethyl acetal .
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