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

Base Information

• Chemical Name: 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrochloride
• CAS No.: 717133-25-0
• Molecular Formula: C20H23FN2O2^.HCl
• Molecular Weight: 378.874
• Hs Code.: 2926909090
• Mol file: 717133-25-0.mol

Synonyms:Benzonitrile, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-, monohydrochloride(9CI);

Chemical Property of 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrochloride

Chemical Property:

• PSA: 67.49000
• LogP: 3.56938
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-butyl)-3-(hydroxymethyl)benzonitrile hydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrochloride

There total 3 articles about 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.38%

→ citalopram diol hydrochloride (717133-25-0)

Guidance literature:

With hydrogenchloride; sodium chloride; ammonium chloride;

Reference yield: 88.74%

2-methyltetrahydrofuran (96-47-9) → citalopram diol hydrochloride (717133-25-0)

Guidance literature:

With hydrogenchloride; sodium chloride; ammonium chloride;

Reference yield:

3-(N,N-dimethylamino)propylmagnesium chloride (19070-16-7) + 1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile (82104-74-3) + 4-flourophenylmagnesium bromide (352-13-6) → citalopram diol hydrochloride (717133-25-0)

Guidance literature:

1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile; With manganese(ll) chloride; In tetrahydrofuran; at -5 ℃; for 0.5h;

4-flourophenylmagnesium bromide; In tetrahydrofuran; at -5 - 0 ℃; for 1h;

3-(N,N-dimethylamino)propylmagnesium chloride; Reagent/catalyst; Solvent; Further stages;

upstream raw materials:

3-(N,N-dimethylamino)propylmagnesium chloride

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

4-flourophenylmagnesium bromide

2-methyltetrahydrofuran

Downstream raw materials:

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

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