α-(3-Chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile
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α-(3-Chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile
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CAS No:
27487-83-8
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Formula:
C16H22ClNO2
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Chemical Name:
α-(3-Chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,α-(3-chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)-;Valeronitrile,5-chloro-2-(3,4-dimethoxyphenyl)-2-isopropyl-;α-(3-Chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile;142629-71-8
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CAS No:
α-(3-Chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile Basic Attributes
295.80438
295.80
248-490-7
2926909090
Characteristics
42.2
4.14018
1.074g/cm3
160-165 °C @ Press: 0.05 Torr
206.5ºC
1.502
Refrigerator
3.41E-07mmHg at 25°C
α-(3-Chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile Use and Manufacturing
It is methylated with guaiacol with dimethyl sulfate with the participation of sodium hydroxide to form o-dimethoxybenzene, and then chloromethylated with formaldehyde-hydrochloric acid to obtain 3, 4-dimethoxychlorobenzyl, Cyanide with sodium cyanide to obtain 3, 4-dimethoxybenzeneacetonitrile, the latter is isopropylated with bromoisopropane with the participation of sodium hydroxide, and then with 1, 3-bromochloropropane chloropropyl The product is made.
Intermediate for synthesis of verapamil and analogs.
Computed Properties
Molecular Weight:295.80
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:295.1339066
Monoisotopic Mass:295.1339066
Topological Polar Surface Area:42.2
Heavy Atom Count:20
Complexity:339
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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α-(3-Chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile
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