4-Chloro-3-methylbenzonitrile
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4-Chloro-3-methylbenzonitrile
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CAS No:
4387-31-9
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Formula:
C8H6ClN
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Chemical Name:
4-Chloro-3-methylbenzonitrile
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Synonyms:
Benzonitrile,4-chloro-3-methyl-;m-Tolunitrile,4-chloro-;4-Chloro-3-methylbenzonitrile
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CAS No:
4-Chloro-3-methylbenzonitrile Use and Manufacturing
The mixture of {Pd(cinnamyl)Cl}2 (85.4 mg, 0.165 mmol) and Mor-DalPhos (152.9 mg, 0.33 mmol) in dioxane (5 mL) was evacuated with argon 4 times. The resulting clear yellow solution was stirred at room temp under argon for 10 min. 4-Chloro-3-methylbenzonitrile (500 mg, 3.30 mmol) and sodium t-butoxide (633.3 mg, 6.60 mmol) was added to the mixture and the mixture was evacuated with argon 4 times. The resulting yellow reaction was stirred at room temp for 5 min and was then treated with hydrazine monohydrate (337 mg, 6.60 mmol) via syringe. The reaction was evacuated with argon 4 times. Then the mixture was stirred at 50 C. under argon for 2 h. The mixture was filtered and washed with ethyl acetate (50 mL*3). The filtrate was collected and concentrated to give the product as yellow solid for next step directly.
Computed Properties
Molecular Weight:151.59
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Exact Mass:151.0188769
Monoisotopic Mass:151.0188769
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
