2-Amino-2,3-dimethylbutanenitrile
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2-Amino-2,3-dimethylbutanenitrile
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CAS No:
13893-53-3
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Formula:
C6H12N2
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Chemical Name:
2-Amino-2,3-dimethylbutanenitrile
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Synonyms:
Butanenitrile,2-amino-2,3-dimethyl-;Butyronitrile,2-amino-2,3-dimethyl-;2-Amino-2,3-dimethylbutanenitrile;2-Amino-2,3-dimethylbutyronitrile;AC 94149;(±)-2-Amino-2,3-dimethylbutyronitrile;(±)-2-Amino-2-cyano-3-methylbutane;92487-58-6
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CAS No:
Characteristics
49.8
0.20
colourless to light yellow liquid
0.896±0.06 g/cm3(Predicted)
43 °C
58.8±22.6 °C
1.444
1.26mmHg at 25°C
Safety Information
P260, P262, P264, P270, P271, P273, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P391, P403+P233, P405, P501
H301
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P262, P264, P270, P271, P273, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 89 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Amino-2,3-dimethylbutanenitrile Use and Manufacturing
The preparation method is to add sodium cyanide, water and concentrated ammonia into the reaction flask, stir at room temperature to completely dissolve the sodium cyanide, then add NH4Cl and the phase transfer catalyst benzyltriethylammonium chloride, and add dropwise under stirring Methyl isopropyl ketone, control the dropping rate so that the liquid temperature does not exceed 30°C, after the addition, stir at room temperature for 4-6 hours, separate the layers and stand still, separate the organic phase, extract the aqueous phase twice with dichloromethane, and combine the organic phases , Dried with anhydrous sodium sulfate, filtered the organic phase, distilled the filtrate at atmospheric pressure, recovered dichloromethane, and evaporated a small amount of unreacted methyl isopropyl ketone, collected 85～87℃/0.94 kPa fraction by vacuum distillation For the finished product.
2-Amino-2,3-dimethylbutyronitrile is an intermediate for the synthesis of various imidazolinone herbicides such as imoxalic acid, imidazole nicotinic acid, imidazole nicotinic acid, imidazoquinoline, and methoxifene.
Intermediates
agro chemical pesticide
All other chemical product and preparation manufacturing|Butanenitrile, 2-amino-2,3-dimethyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:112.17
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:112.100048391
Monoisotopic Mass:112.100048391
Topological Polar Surface Area:49.8
Heavy Atom Count:8
Complexity:120
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Amino-2,3-dimethylbutanenitrile
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