1-(4-chlorobenzyl)-(1H-1，2，4-triazol-yl)-pinacolone
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1-(4-chlorobenzyl)-(1H-1，2，4-triazol-yl)-pinacolone
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CAS No:
107021-84-1
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Formula:
C15H18ClN3O
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Chemical Name:
1-(4-chlorobenzyl)-(1H-1，2，4-triazol-yl)-pinacolone
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Synonyms:
1-Butanone,2-[(4-chlorophenyl)methyl]-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-;ACMC-20ctzo;CTK4A4913;DTXSID00910216;1-Butanone, 2-((4-chlorophenyl)methyl)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-;1H-1,2,4-Triazole, 1-(2-((4-chlorophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-;2-[(4-Chlorophenyl)methyl]-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-1-one
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CAS No:
1-(4-chlorobenzyl)-(1H-1，2，4-triazol-yl)-pinacolone Use and Manufacturing
The preparation method is to put the oxazolone, water, TEBA (phase transfer catalyst) and lye into the reactor, stir and raise the temperature to 50°C, add dropwise p-chlorobenzyl chloride at 50-60°C, and react at this temperature after dropping After 2h, cool, filter, and dry to get the product.
1-(4-chlorobenzyl)-1-(1H-1,2,4-triazol-1-yl)-pinazone, abbreviated as chlorazolone, is an intermediate of plant growth regulator paclobutrazol.
Computed Properties
Molecular Weight:291.77
XLogP3:4.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:291.1138399
Monoisotopic Mass:291.1138399
Topological Polar Surface Area:47.8
Heavy Atom Count:20
Complexity:335
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
1-(4-chlorobenzyl)-(1H-1，2，4-triazol-yl)-pinacolone
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