4-Chloro-α-[methyl(2,2,2-trifluoroacetyl)amino]benzeneacetic acid
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![4-Chloro-α-[methyl(2,2,2-trifluoroacetyl)amino]benzeneacetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7be61852f9b04045967c03a6129a311f.png "4-Chloro-α-[methyl(2,2,2-trifluoroacetyl)amino]benzeneacetic acid")
4-Chloro-α-[methyl(2,2,2-trifluoroacetyl)amino]benzeneacetic acid
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CAS No:
143209-98-7
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Formula:
C11H9ClF3NO3
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Chemical Name:
4-Chloro-α-[methyl(2,2,2-trifluoroacetyl)amino]benzeneacetic acid
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Synonyms:
Benzeneacetic acid,4-chloro-α-[methyl(2,2,2-trifluoroacetyl)amino]-;Benzeneacetic acid,4-chloro-α-[methyl(trifluoroacetyl)amino]-;4-Chloro-α-[methyl(2,2,2-trifluoroacetyl)amino]benzeneacetic acid;2-(4-Chlorophenyl)-N-(trifluoroacetyl)sarcosine
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CAS No:
4-Chloro-α-[methyl(2,2,2-trifluoroacetyl)amino]benzeneacetic acid Basic Attributes
295.6422696
295.64
4-Chloro-α-[methyl(2,2,2-trifluoroacetyl)amino]benzeneacetic acid Use and Manufacturing
The preparation method is obtained by reacting 2-p-chlorophenyl sarcosine with trifluoroacetic anhydride. 28.4 g (0.135 mol) of 2-p-chlorophenyl sarcosine was dissolved in dry toluene, 20 mL of trifluoroacetic anhydride was quickly added, and the reaction was stirred at room temperature for 1.0 h. It was concentrated in vacuo, and the residue was stripped with toluene three times to remove unreacted trifluoroacetic anhydride to obtain 40.3 g of 2-p-chlorophenyl-N-trifluoroacetylsarcosine with a yield of 97%.
This product is an intermediate of the insecticide chlorfenapyr.
Computed Properties
Molecular Weight:295.64
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:295.0223053
Monoisotopic Mass:295.0223053
Topological Polar Surface Area:57.6
Heavy Atom Count:19
Complexity:354
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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