3-Methoxypropionitrile
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3-Methoxypropionitrile
structure -
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CAS No:
110-67-8
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Formula:
C4H7NO
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Chemical Name:
3-Methoxypropionitrile
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Synonyms:
Propanenitrile,3-methoxy-;Propionitrile,3-methoxy-;3-Methoxypropanenitrile;3-Methoxypropionitrile;1-Cyano-2-methoxyethane;2-Cyanoethyl methyl ether;β-Methoxypropionitrile;Methyl β-cyanoethyl ether;1-Methoxy-2-cyanoethane;NSC 4090;NSC 61486
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CAS No:
3-Methoxypropionitrile Basic Attributes
85.1
85.10
1739284
203-790-7
61486|4090
DTXSID3026851
29269095
Characteristics
33
-0.2
Clear colorless to yellow Liquid
0.9420 g/cm3 @ Temp: 20 °C
-62.9 °C
163 °C
66 °C
n 20/D 1.403(lit.)
H2O: 335 g/L (20 ºC)
Store below +30°C.
2.3 hPa (30 °C)
LD50 orally in Rabbit: 4130 mg/kg LD50 dermal Rabbit > 9400 mg/kg
1.9-15.3%(V)
3-Methoxypropionitrile|D: Other compounds that may form peroxides|Kelly
Safety Information
III
3.2
3276
2
36/37/38
26-36-37/39
TZ4870000
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (27.03%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 151 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Methoxypropionitrile Use and Manufacturing
General procedure: To a solution of activated alkene(0.5 mmol) in alcohol (2.0 mmol) was added Na2CO3 (0.2 mL, 0.05 M aq.), and the solution wasstirred until alkene was completely consumed (monitored by TLC) or an appropriate time andextracted with ethyl acetate (3 ×5 mL). The combined organic layers washed with brine (10 mL), dried over Na2SO4, filtered, and concentrated in vacuo. The crude product was purified by silicagel column chromatography to give the β-alkoxycarbonyl compound.General procedure: The cyanoethylation reaction procedure was similar to that previously reported [3]. Typically, 80 mmol of acrylonitrile and 20 mL of alcohol (methanol or 2-propanol) were added to a three-necked 50-mL round-bottom flask equipped with a reflux condenser and a thermometer. The solution was magnetically stirred at 50 °C, and the freshly activated catalyst was rapidly added to the reactor in order to minimize exposure to atmospheric CO
Thiadiazole derivatives; pharmaceutical intermediates
Propanenitrile, 3-methoxy-: ACTIVE
Computed Properties
Molecular Weight:85.10
XLogP3:-0.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:85.052763847
Monoisotopic Mass:85.052763847
Topological Polar Surface Area:33
Heavy Atom Count:6
Complexity:61.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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