| Identification | More | [Name]
4,4-Diethoxy-N,N-dimethyl-1-butanamine | [CAS]
1116-77-4 | [Synonyms]
1-BUTANAMINE 4,4-DIETHOXY-N,N-DIMETHYL
(4,4-DIETHOXY-BUTYL)-DIMETHYL-AMINE
4,4-DIETHOXY-N,N-DIMETHYL-1-BUTANAMINE
4,4-DIETHOXY-N,N-DIMETHYLBUTANAMINE
4,4-DIETHOXY-N, N-DIMETHYL-BUTYLAMINE
4-DIMETHYLAMINO BUTANAL DIETHYL ACETAL
4-DIMETHYLAMINO BUTYRALDEHYDE DIETHYL ACETAL
4-(N,N-DIMETHYLAMINO)BUTANAL DIETHYL ACETAL
N, N-DIMETHYL-4,4-DIETHOXY-1-BUTANAMINE
N,N-DIMETHYL-4-AMINOBUTANAL DIETHYL ACETAL
1-Butanamine, 4,4-diethoxy-N,N-dimethyl-S
4,4-Diethoxy-N,N-dimethyl-1-butanamine(DDBA)
4-DimethylamineButyaldehydeDimethylAcetal(ForSumatriptan)
1-Butanamine,4,4-diethoxy-N,N-
4,4-diethoxy-N,N-dimethyl-butylamine (intermediate of zolmitriptan and sumatriptan)
4-(N,N-DIMETHYLAMINO)BUTANAL DIETHYL ACETAL(FOR ZOLMITRIPTAN AND OTHER TRIPTANS)
4-(N,N-DIMETHYLAMINO)-BUTYRALDEHYDE DIETHYL ACETAL
4-N,N-DIMETHYLAMINOBUTANAL DIETHYL ACETAL (FOR SUMATRIPTAN, RIZATRIPTAN, ZOLMITRIPTAN)
4-N,N-dimethylaminobutanal diethyl acetal ( For Triptans )
4,4-DIETHOXY-N,N-DIMETHYL BUTYLAMINE,GC 96+% | [EINECS(EC#)]
601-109-1 | [Molecular Formula]
C10H23NO2 | [MDL Number]
MFCD00671479 | [Molecular Weight]
189.3 | [MOL File]
1116-77-4.mol |
| Chemical Properties | Back Directory | [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 | [Major Application]
pharmaceutical (small molecule) | [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 Data | Back Directory | [Symbol(GHS) ]
GHS05 | [Signal word ]
Danger | [Hazard statements ]
H318 | [Precautionary statements ]
P280-P305+P351+P338+P310 | [Hazard Codes ]
Xi,C | [Risk Statements ]
R41:Risk of serious damage to eyes.
R34:Causes burns.
R10:Flammable. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 3267 8 / PGIII | [WGK Germany ]
3
| [HS Code ]
29225090 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Eye Dam. 1 |
| Hazard Information | Back Directory | [Chemical Properties]
Light yellow liquid | [Uses]
4,4-Diethoxy-N,N-dimethyl-1-butanamine is used in the preparation of N,N-Dimethyltryptamines, 5-HT1D receptor agonists, for medicinal treatments such as antimigraine drugs(Sumatriptan, Rizatriptan, Almotriptan, Zolmitriptan).
| [Uses]
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. | [Uses]
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 | [Synthesis]
Magnesium shavings (25 g) were added to a 2L four-necked round-bottomed flask under nitrogen protection. Benzene (50 mL), benzene solution of 3-chloro-1-(N,N-dimethyl)propylamine (50 mL), triethyl orthoformate (20 g), and a small amount of iodine crystals were added sequentially and slowly heated to reflux temperature. After 15-20 minutes of refluxing, a vigorous reaction was observed, indicating the onset of the Grignard reaction. The remaining benzene solution of 3-chloro-1-(N,N-dimethyl)propylamine and triethyl orthoformate (174 g, where R3 = R5 = Et) were loaded into two charging funnels and added slowly and dropwise to the reaction mixture over a period of 3-4 hr, maintaining reflux. After completion of the reaction, it was cooled to 25 °C and filtered through a diatomaceous earth pad. The filter cake was washed with benzene (100 mL). Benzene was removed by distillation at atmospheric pressure using a 20 cm Vigreux column. The residue was distilled under mild vacuum with a controlled bath temperature below 100 °C to recover excess triethyl orthoformate (60 g). Finally, 4-dimethylaminobutyraldehyde diethyl acetal was purified by reduced pressure distillation to give 125 g (75.8% yield) of a colorless liquid with a boiling point of 140-150°C/15-20 mmHg. | [References]
[1] Patent: WO2003/101931, 2003, A2. Location in patent: Page 14-15
[2] Patent: WO2003/101931, 2003, A2. Location in patent: Page 15-16
[3] Patent: WO2004/99141, 2004, A1. Location in patent: Page 9-10 |
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Alfa Aesar
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Energy Chemical
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China Langchem Inc.
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