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260371-16-2

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Basic Information
CAS No.: 260371-16-2
Name: 4-(4-fluorobenzoyl)-3-(hydroxyMethyl)benzonitrile
Article Data: 7
Molecular Structure:
Molecular Structure of 260371-16-2 (4-(4-fluorobenzoyl)-3-(hydroxyMethyl)benzonitrile)
Formula: C15H10FNO2
Molecular Weight: 255.248
Synonyms: 4-(4-fluorobenzoyl)-3-(hydroxyMethyl)benzonitrile
Density: 1.33±0.1 g/cm3(Predicted)
Boiling Point: 486.2±45.0 °C(Predicted)
PSA: 61.09000
LogP: 2.42068
Related products
Synthetic route
82104-74-3

1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile

352-13-6

4-flourophenylmagnesium bromide

260371-16-2

4-(4-fluorobenzoyl)-3-(hydroxymethyl)benzonitrile

Conditions
ConditionsYield
Stage #1: 1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile; 4-flourophenylmagnesium bromide In tetrahydrofuran; 1,2-dimethoxyethane at -10℃; for 3.5h;
Stage #2: With water; ammonium chloride In tetrahydrofuran; 1,2-dimethoxyethane at 20℃; for 0.0833333h;		86.2%
In tetrahydrofuran at 0 - 5℃; for 5h; Solvent; Temperature;85%
Stage #1: 1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile; 4-flourophenylmagnesium bromide In tetrahydrofuran; dichloromethane at -6 - -2℃;
Stage #2: With water; ammonium chloride In tetrahydrofuran; dichloromethane
In tetrahydrofuran; toluene at -4 - -2℃; Product distribution / selectivity;
82104-74-3

1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile

460-00-4

1-Bromo-4-fluorobenzene

260371-16-2

4-(4-fluorobenzoyl)-3-(hydroxymethyl)benzonitrile

Conditions
ConditionsYield
Stage #1: 1-Bromo-4-fluorobenzene With magnesium In tetrahydrofuran Reflux; Inert atmosphere;
Stage #2: 1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile In tetrahydrofuran at 0℃; for 0.5h; Inert atmosphere;		63%
82104-74-3

1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile

352-13-6

4-flourophenylmagnesium bromide

A

260371-16-2

4-(4-fluorobenzoyl)-3-(hydroxymethyl)benzonitrile

B

762266-07-9

4-(bis(4-fluorophenyl)hydroxymethyl)-3-(hydroxymethyl)benzonitrile

Conditions
ConditionsYield
In tetrahydrofuran; water at -10 - -5℃; for 3h;
...Expand
260371-16-2

4-(4-fluorobenzoyl)-3-(hydroxymethyl)benzonitrile

13061-96-6

dihydroxy-methyl-borane

1201-56-5, 14222-20-9, 17605-71-9, 39263-91-7, 42151-56-4, 51018-28-1, 62560-55-8, 87040-40-2, 552-79-4

(1S,2S)-N-Methylpseudoephedrine

C27H28BFN2O3

Conditions
ConditionsYield
In toluene at 20 - 70℃; under 45.0045 - 52.5053 Torr; for 1.5h; Product distribution / selectivity;91%
In toluene at 25 - 65℃; under 7.50075 - 82.5083 Torr; for 1 - 3h; Product distribution / selectivity; Molecular sieve;
...Expand
260371-16-2

4-(4-fluorobenzoyl)-3-(hydroxymethyl)benzonitrile

18162-48-6

tert-butyldimethylsilyl chloride

1370643-21-2

4-(4-fluorobenzoyl)-3-(tert-butyldimethylsiloxymethyl)benzonitrile

Conditions
ConditionsYield
With 1H-imidazole In dichloromethane at 10 - 15℃; for 0.5h;84%
260371-16-2

4-(4-fluorobenzoyl)-3-(hydroxymethyl)benzonitrile

762266-07-9

4-(bis(4-fluorophenyl)hydroxymethyl)-3-(hydroxymethyl)benzonitrile

207680-98-6

4-[(4-fluoro-phenyl)-hydroxy-methyl]-3-hydroxymethyl-benzonitrile

Conditions
ConditionsYield
Stage #1: 4-(4-fluorobenzoyl)-3-(hydroxymethyl)benzonitrile; 4-(bis(4-fluorophenyl)hydroxymethyl)-3-(hydroxymethyl)benzonitrile With sodium hydroxide; sodium tetrahydroborate In tetrahydrofuran; water at 0 - 15℃; for 0.5h;
Stage #2: With phosphoric acid In water for 2h; Heating / reflux;
260371-16-2

4-(4-fluorobenzoyl)-3-(hydroxymethyl)benzonitrile

207680-98-6

4-[(4-fluoro-phenyl)-hydroxy-methyl]-3-hydroxymethyl-benzonitrile

Conditions
ConditionsYield
With sodium tetrahydroborate In methanol; toluene at 10 - 15℃; for 2h;
260371-16-2

4-(4-fluorobenzoyl)-3-(hydroxymethyl)benzonitrile

boron complex VB

Conditions
ConditionsYield
With sodium tetrahydroborate In methanol at 5 - 25℃; for 7 - 9h;
260371-16-2

4-(4-fluorobenzoyl)-3-(hydroxymethyl)benzonitrile

19070-16-7

3-(N,N-dimethylamino)propylmagnesium chloride

103146-25-4

4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

Conditions
ConditionsYield
In tetrahydrofuran; 1,1-Dibromoethane; dichloromethane; toluene at -5 - 5℃; for 3 - 4h;
260371-16-2

4-(4-fluorobenzoyl)-3-(hydroxymethyl)benzonitrile

56-54-2, 130-95-0, 572-59-8, 572-60-1, 42151-59-7, 47342-58-5, 72402-50-7, 72402-51-8, 72402-52-9, 72402-53-0, 101143-86-6, 101143-87-7, 101143-88-8, 146925-10-2

quinindine

86595-27-9

diisopropoxymethylborane

C36H35BFN3O4

Conditions
ConditionsYield
In toluene at 20 - 70℃; for 0.75h; Product distribution / selectivity;
...Expand
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