1-(4-Chlorophenyl)-1-phenylethanol
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1-(4-Chlorophenyl)-1-phenylethanol
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CAS No:
59767-24-7
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Formula:
C14H13ClO
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Chemical Name:
1-(4-Chlorophenyl)-1-phenylethanol
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Synonyms:
Benzenemethanol,4-chloro-α-methyl-α-phenyl-;Benzhydrol,4-chloro-α-methyl-;4-Chloro-α-methyl-α-phenylbenzenemethanol;p-Chloro-α-methylbenzhydrol;1-(p-Chlorophenyl)-1-phenylethanol;(p-Chlorophenyl)methylphenylcarbinol;EGIS 5927;1-(4-Chlorophenyl)-1-phenylethanol;4-Chloro(α-methyl-α-phenyl)benzenemethanol;1-(4-Chlorophenyl)-1-phenylethan-1-ol;61771-16-2
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CAS No:
1-(4-Chlorophenyl)-1-phenylethanol Basic Attributes
232.70542
232.71
611-881-1
DTXSID30557173
2906299090
1-(4-Chlorophenyl)-1-phenylethanol Use and Manufacturing
1-(4-Chlorophenyl)-1-phenylethanol: Under nitrogen, a solution of bromobenzene (20.31 g, 129.35 mmol) in dry tetrahydrofuran (50 mL) was added dropwise to a mixture of magnesium turnings (3.88 g, 159.61 mmol), dry tetrahydrofuran (50 mL) and a crystal of iodine. After heating at reflux for about 2 hours, the resulting solution was cooled to about 0° C. and then added dropwise to a solution of 1-(4-chloro-phenyl)-ethanone (10.0 g, 64.69 mmol) in tetrahydrofuran (100 mL). The mixture was stirred for about 18 hours at ambient temperature, cooled to about 0° C., and then quenched by slowly adding a saturated ammonium chloride solution. Following standard extractive workup with ethyl acetate, the resulting crude residue was purified by silica gel column chromatography (5percent ethyl acetate in petroleum ether) to yield the title product as an oil (3.80 g, 25percent). General procedure: A solution of carbonyl compound in dry DCM (2 – 5 mL) and the Grignard reagent in diethylether (3.0 M, 2.0 eq.) was stirred under Ar at rt. with the reaction time the same as to achievethe completion of the corresponding Al(OTf)3-enhanced reaction. The reaction mixture was neutralized with aq. NH4Cl solution and the product extracted into EtOAc (3 x 50 mL). The organic layer was dried over Na2SO4, filtered and evaporated under reduced pressure.Purification was done via PLC
Computed Properties
Molecular Weight:232.70
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:232.0654927
Monoisotopic Mass:232.0654927
Topological Polar Surface Area:20.2
Heavy Atom Count:16
Complexity:217
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-(4-Chlorophenyl)-1-phenylethanol
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