(S)-1-(4-fluorophenyl)-1-(3-hydroxy-[3-d2]-propyl)-1,3-dihydro-isobenzofuran-5-carbonitrile

Base Information

Chemical Name:(S)-1-(4-fluorophenyl)-1-(3-hydroxy-[3-d2]-propyl)-1,3-dihydro-isobenzofuran-5-carbonitrile
CAS No.:817203-56-8
Molecular Formula:C₁₈H₁₆FNO₂
Molecular Weight:299.313
Hs Code.:

Synonyms:(S)-1-(4-fluorophenyl)-1-(3-hydroxy-[3-d2]-propyl)-1,3-dihydro-isobenzofuran-5-carbonitrile

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (S)-1-(4-fluorophenyl)-1-(3-hydroxy-[3-d2]-propyl)-1,3-dihydro-isobenzofuran-5-carbonitrile

Chemical Property:

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Technology Process of (S)-1-(4-fluorophenyl)-1-(3-hydroxy-[3-d2]-propyl)-1,3-dihydro-isobenzofuran-5-carbonitrile

There total 7 articles about (S)-1-(4-fluorophenyl)-1-(3-hydroxy-[3-d2]-propyl)-1,3-dihydro-isobenzofuran-5-carbonitrile 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: 76.0%

: 766508-94-5
(S)-Citalopram propionic acid

: 817203-56-8
(S)-1-(4-fluorophenyl)-1-(3-hydroxy-[3-d2]-propyl)-1,3-dihydro-isobenzofuran-5-carbonitrile

Guidance literature:: With sodium borodeuteride; boron trifluoride diethyl etherate; In tetrahydrofuran; at 0 - 20 ℃;
DOI:10.1002/jlcr.820

Reference yield:

: 128196-01-0
escitalopram

: 817203-56-8
(S)-1-(4-fluorophenyl)-1-(3-hydroxy-[3-d2]-propyl)-1,3-dihydro-isobenzofuran-5-carbonitrile

Guidance literature:: Multi-step reaction with 5 steps

1.1: 2,2,2-trichloroethyl chloroformate / toluene / 2 h / Heating

1.2: 11 percent / aq. KH₂PO₄; Zn / tetrahydrofuran / 2 h / Heating

2.1: sodium iodide / acetone / Heating

3.1: dimethyl sulfoxide; sodium hydrogen carbonate / 0.33 h / 120 °C

4.1: 36 percent / aq. silver nitrate; aq. sodium hydroxide / ethanol / 0.5 h / 0 °C

5.1: 76 percent / boron trifluoride diethyl etherate; sodium borodeuteride / tetrahydrofuran / 0 - 20 °C

With sodium hydroxide; sodium borodeuteride; boron trifluoride diethyl etherate; sodium hydrogencarbonate; silver nitrate; dimethyl sulfoxide; sodium iodide; 2,2,2-Trichloroethyl chloroformate; In tetrahydrofuran; ethanol; acetone; toluene; 2.1: Finkelstein reaction;
DOI:10.1002/jlcr.820

Reference yield:

: (S)-1-(4-Fluoro-phenyl)-1-(3-iodo-propyl)-1,3-dihydro-isobenzofuran-5-carbonitrile

: 817203-56-8
(S)-1-(4-fluorophenyl)-1-(3-hydroxy-[3-d2]-propyl)-1,3-dihydro-isobenzofuran-5-carbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: dimethyl sulfoxide; sodium hydrogen carbonate / 0.33 h / 120 °C

2: 36 percent / aq. silver nitrate; aq. sodium hydroxide / ethanol / 0.5 h / 0 °C

3: 76 percent / boron trifluoride diethyl etherate; sodium borodeuteride / tetrahydrofuran / 0 - 20 °C

With sodium hydroxide; sodium borodeuteride; boron trifluoride diethyl etherate; sodium hydrogencarbonate; silver nitrate; dimethyl sulfoxide; In tetrahydrofuran; ethanol;
DOI:10.1002/jlcr.820