![](/CAS/GIF/542-76-7.gif)
3-Chloropropiononitrile synthesis
- Product Name:3-Chloropropiononitrile
- CAS Number:542-76-7
- Molecular formula:C3H4ClN
- Molecular Weight:89.52
![Benzoyl chloride](/CAS/GIF/98-88-4.gif)
98-88-4
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![3-Hydroxypropionitrile](/CAS/GIF/109-78-4.gif)
109-78-4
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$10.00/1g
![3-Chloropropiononitrile](/CAS/GIF/542-76-7.gif)
542-76-7
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$31.00/25mL
![2-cyanoethyl benzoate](/CAS/20200401/GIF/5325-95-1.gif)
5325-95-1
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Yield:542-76-7 75%
Reaction Conditions:
with 1-pyrrolidinecarboxaldehyde at 80; for 5.5 h;Reagent/catalyst;Temperature;
Steps:
General procedure: Entry 1: According to general procedure Ill (chapter 2.1.3) a 100 mL flask with strong stir bar was charged with 3-hydroxypropannitrile 145 (14.1 mL, 14.66 g, 200 mmol, 1.0 equiv) and FPyr (7.9 mL, 8.10 g, 80.0 mmol, 40mo1%) and heated to 80 °C. Within 1.25 h benzoyl chloride (23.9 mL, 28.97 g,204 mmol, 1.02 equiv) was added dropwise and the reaction mixture was stirred for further 4.25 h at80 °C. After 4 h of stirring ‘H-N MR of a small aliquot of the reaction mixture (ca. 10 mg) showed fullconsumption of the starting material 145 and a chloride 245 to ester 345 ratio of 82:18. Then thereaction solution was allowed to cool down to ambient temperature accompanied by benzoic acidprecipitating. Distillation at 10 mbar through a micro distillation apparatus without dispenser delivered the chloride 245 as a colorless oil (13.75 g) with a boiling range of 66-80 °C (oil bath temperature 100-150 °C). As ‘H-N MR showed 2 mol% formiate 745 (referred to 245), the desired chloroalkane 245 was obtained in 75% yield (150.2 mmol).
References:
UNIVERSITAET DES SAARLANDES;HUY, Peter Helmut WO2016/202894, 2016, A1 Location in patent:Page/Page column 53; 132; 142; 143
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107-13-1
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![3-Chloropropiononitrile](/CAS/GIF/542-76-7.gif)
542-76-7
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![3-Chloropropionyl chloride](/CAS/GIF/625-36-5.gif)
625-36-5
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![3-Chloropropiononitrile](/CAS/GIF/542-76-7.gif)
542-76-7
137 suppliers
$31.00/25mL
![3-Hydroxypropionitrile](/CAS/GIF/109-78-4.gif)
109-78-4
353 suppliers
$10.00/1g
![3-Chloropropiononitrile](/CAS/GIF/542-76-7.gif)
542-76-7
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$31.00/25mL
![4-CHLOROBUTYRIC ACID](/CAS/GIF/627-00-9.gif)
627-00-9
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![3-Chloropropiononitrile](/CAS/GIF/542-76-7.gif)
542-76-7
137 suppliers
$31.00/25mL