2-chloro-4-((3S,3aS,4S)-3-(cyclopropylmethoxy)-4-hydroxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl)-3-methylbenzonitrile

Base Information

Chemical Name:2-chloro-4-((3S,3aS,4S)-3-(cyclopropylmethoxy)-4-hydroxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl)-3-methylbenzonitrile
CAS No.:1421375-42-9
Molecular Formula:C₁₈H₂₀ClN₃O₂
Molecular Weight:345.829
Hs Code.:

Synonyms:2-chloro-4-((3S,3aS,4S)-3-(cyclopropylmethoxy)-4-hydroxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl)-3-methylbenzonitrile

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Chemical Property of 2-chloro-4-((3S,3aS,4S)-3-(cyclopropylmethoxy)-4-hydroxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl)-3-methylbenzonitrile

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Technology Process of 2-chloro-4-((3S,3aS,4S)-3-(cyclopropylmethoxy)-4-hydroxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl)-3-methylbenzonitrile

There total 17 articles about 2-chloro-4-((3S,3aS,4S)-3-(cyclopropylmethoxy)-4-hydroxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl)-3-methylbenzonitrile 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: 33.0%

: 1421376-02-4
4-((3S,3aR,4S)-4-((tert-butyldimethylsilyl)oxy)-3-(cyclopropylmethoxy)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl)-2-chloro-3-methylbenzonitrile

: 1421375-42-9
2-chloro-4-((3S,3aS,4S)-3-(cyclopropylmethoxy)-4-hydroxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl)-3-methylbenzonitrile

Guidance literature:: 4-((3S,3aR,4S)-4-((tert-butyldimethylsilyl)oxy)-3-(cyclopropylmethoxy)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl)-2-chloro-3-methylbenzonitrile; With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

With water; In tetrahydrofuran; ethyl acetate;

Reference yield:

: 627531-48-0
N-(3-chloro-4-cyano-2-methylphenyl)acetamide

: 1421375-42-9
2-chloro-4-((3S,3aS,4S)-3-(cyclopropylmethoxy)-4-hydroxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl)-3-methylbenzonitrile

Guidance literature:: Multi-step reaction with 8 steps

1.1: hydrogenchloride; water / ethanol / Reflux

2.1: copper(l) iodide; tert.-butylnitrite / acetonitrile / 3 h / Inert atmosphere; Heating

3.1: isopropylmagnesium chloride / tetrahydrofuran; diethyl ether / 2 h / 0 °C / Inert atmosphere

3.2: 2 h / 0 °C / Inert atmosphere

4.1: acetic acid / 3 h / 20 °C

5.1: oxalyl dichloride; dimethyl sulfoxide; triethylamine / dichloromethane / 2 h / -78 - -30 °C

6.1: boron trifluoride diethyl etherate / dichloromethane / 3 h / 0 - 20 °C

7.1: sodium hydride / tetrahydrofuran; mineral oil / 0.17 h / 0 °C

7.2: 12 h / 65 °C

8.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 1 h / 0 - 20 °C

With hydrogenchloride; copper(l) iodide; tert.-butylnitrite; oxalyl dichloride; boron trifluoride diethyl etherate; tetrabutyl ammonium fluoride; water; isopropylmagnesium chloride; sodium hydride; acetic acid; dimethyl sulfoxide; triethylamine; In tetrahydrofuran; diethyl ether; ethanol; dichloromethane; acetonitrile; mineral oil;

Reference yield:

: 573768-09-9
4-amino-2-chloro-3-methyl-benzonitrile

: 1421375-42-9
2-chloro-4-((3S,3aS,4S)-3-(cyclopropylmethoxy)-4-hydroxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl)-3-methylbenzonitrile

Guidance literature:: Multi-step reaction with 7 steps

1.1: copper(l) iodide; tert.-butylnitrite / acetonitrile / 3 h / Inert atmosphere; Heating

2.1: isopropylmagnesium chloride / tetrahydrofuran; diethyl ether / 2 h / 0 °C / Inert atmosphere

2.2: 2 h / 0 °C / Inert atmosphere

3.1: acetic acid / 3 h / 20 °C

4.1: oxalyl dichloride; dimethyl sulfoxide; triethylamine / dichloromethane / 2 h / -78 - -30 °C

5.1: boron trifluoride diethyl etherate / dichloromethane / 3 h / 0 - 20 °C

6.1: sodium hydride / tetrahydrofuran; mineral oil / 0.17 h / 0 °C

6.2: 12 h / 65 °C

7.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 1 h / 0 - 20 °C

With copper(l) iodide; tert.-butylnitrite; oxalyl dichloride; boron trifluoride diethyl etherate; tetrabutyl ammonium fluoride; isopropylmagnesium chloride; sodium hydride; acetic acid; dimethyl sulfoxide; triethylamine; In tetrahydrofuran; diethyl ether; dichloromethane; acetonitrile; mineral oil;