| Identification | More | [Name]
4-Chlorobutanal diethyl acetal | [CAS]
6139-83-9 | [Synonyms]
4-CHLORO-1,1-DIETHOXY BUTANE
4-CHLORO BUTANAL DIETHYL ACETAL
4-CHLORO BUTYRALDEHYDE DIETHYL ACETAL
4-CHLOROBUTANAL DIETHYL ACETAL (FOR SUMATRIPTAN AND OTHER TRIPTANS)
4-Chloro-1,1-dethoxybutane
4-CHLOROBUTANAL DIETHYL
4-CHLOROBUTYLRALDEHYDE DIETHYLACETAL
4-CHLOROBUTANAL DIETHYL ACETAL (FOR SUMATRIPTAN AND OTHER TRIPTANS),96.0% | [Molecular Formula]
C8H17ClO2 | [MDL Number]
MFCD00671476 | [Molecular Weight]
180.67 | [MOL File]
6139-83-9.mol |
| Chemical Properties | Back Directory | [Appearance]
Colourless Liquid | [Boiling point ]
208.6°C | [density ]
0.976 | [refractive index ]
1.4260-1.4300 | [Fp ]
51.1°C | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Oil | [color ]
Clear Colourless | [CAS DataBase Reference]
6139-83-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [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 . | [RIDADR ]
1993 | [HS Code ]
2933.39.9200 | [HazardClass ]
3 | [PackingGroup ]
III |
| Hazard Information | Back Directory | [Chemical Properties]
Colourless Liquid | [Uses]
intermediate for Sumatriptan, Rizatriptan, Almotriptan, Zolmitriptan | [Synthesis]
The general procedure for the synthesis of 4-chlorobutanal diethyl acetal from ethanol and the compound (CAS: 763101-16-2) is as follows: preparation of 4-chlorobutanal diethyl acetal: 13.7 g (0.092 mol) of 4-chloro-1-acetoxy-1-butene, 100 ml (1.70 mol) of 95% ethanol, and about 5 g of triethyl orthoformate were mixed (triethyl orthoformate was added to ensure that the reaction proceeds under anhydrous conditions). Subsequently, 1.40 g of Amberlyst 15 catalyst was added and stirred under reflux conditions for 5 hours. Completion of the reaction was confirmed by gas chromatography (GC) analysis. Upon completion of the reaction, it was manipulated and distilled according to conventional methods to give 10.82 g (65% yield) of the product with a boiling point of 45-50 °C (1 mmHg). Nuclear magnetic resonance (NMR) analysis confirmed that the resulting product was pure 4-chlorobutanal diethyl acetal. | [References]
[1] Organic Preparations and Procedures International, 2004, vol. 36, # 5, p. 487 - 490
[2] Patent: US2004/192958, 2004, A1. Location in patent: Page 3-4 |
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