Acetaldehyde, 2-(methylthio)-, oxime
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Acetaldehyde, 2-(methylthio)-, oxime
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CAS No:
10533-67-2
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Formula:
C3H7NOS
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Chemical Name:
Acetaldehyde, 2-(methylthio)-, oxime
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Synonyms:
Acetaldehyde,2-(methylthio)-,oxime;Acetaldehyde,(methylthio)-,oxime;(Methylthio)acetaldehyde oxime;2-(Methylthio)Acetaldehyde oxime
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CAS No:
Acetaldehyde, 2-(methylthio)-, oxime Basic Attributes
105.15878
105.16
234-096-2
DTXSID5027726
2930909090
Characteristics
57.9
0.51
1.09±0.1 g/cm3(Predicted)
209.2±23.0 °C(Predicted)
80.3±22.6 °C
1.494
0.082mmHg at 25°C
Acetaldehyde, 2-(methylthio)-, oxime Use and Manufacturing
The key to the synthesis of methomyl is the synthesis of the intermediate methomyl oxime. The selected synthetic route is different, and the yield of methomyl oxime is far from the cost. The synthesis of methomyl oxime generally has the following five methods: ①thioacetaldoxime method; ②acetonitrile method; ③methyl ethyl ketone method; ④nitroethane method; ⑤acetaldehyde method. Methomyl oxime is mainly produced in China by the acetaldehyde method. The operation step of the acetaldehyde method is to react acetaldehyde with hydroxylamine hydrochloride under the action of acid binding agent, and the resulting acetaldoxime reacts with chlorine gas at a certain temperature. After a certain period of time, sodium methyl mercaptan is added dropwise, and the pH is adjusted with alkali Value, cooling, suction filtration, drying, the white crystal obtained is methomyl oxime. The reaction equation is as follows: CH3CHO+NH2OH·HCl+NaOH→CH3CH=NOH+NaCl 10 H2OCH3CH=NOH+Cl2→CH3CCl=NOH+HClCH3CCl=NOH+NaSCH3→CH3-(SCH3)C=NOH+NaCl They are all domestic products, with high product yield, low cost, no special equipment requirements, and less "three wastes". It is currently the main method for producing methomyl oxime in the world. Both DuPont and Hunan Chemical Industry Research Institute use the acetaldehyde method to produce methomyl oxime.
Is an intermediate for the synthesis of metoprolol
Acetaldehyde, 2-(methylthio)-, oxime: INACTIVE
Computed Properties
Molecular Weight:105.16
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:105.02483502
Monoisotopic Mass:105.02483502
Topological Polar Surface Area:57.9
Heavy Atom Count:6
Complexity:46.1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Price Analysis
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Acetaldehyde, 2-(methylthio)-, oxime
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