3-[4-{4-[1-(3-fluoro-phenyl)pyrrolidin-3-yloxy]-phenyl}-5-[4-(3-methoxy-propyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]-1-(toluene-4-sulfonyl)-piperidin-3-yloxy]-propionitrile

Base Information

Chemical Name:3-[4-{4-[1-(3-fluoro-phenyl)pyrrolidin-3-yloxy]-phenyl}-5-[4-(3-methoxy-propyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]-1-(toluene-4-sulfonyl)-piperidin-3-yloxy]-propionitrile
CAS No.:873946-54-4
Molecular Formula:C₄₄H₅₁FN₄O₇S
Molecular Weight:798.976
Hs Code.:

3-[4-{4-[1-(3-fluoro-phenyl)pyrrolidin-3-yloxy]-phenyl}-5-[4-(3-methoxy-propyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]-1-(toluene-4-sulfonyl)-piperidin-3-yloxy]-propionitrile

Synonyms:3-[4-{4-[1-(3-fluoro-phenyl)pyrrolidin-3-yloxy]-phenyl}-5-[4-(3-methoxy-propyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]-1-(toluene-4-sulfonyl)-piperidin-3-yloxy]-propionitrile

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Chemical Property of 3-[4-{4-[1-(3-fluoro-phenyl)pyrrolidin-3-yloxy]-phenyl}-5-[4-(3-methoxy-propyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]-1-(toluene-4-sulfonyl)-piperidin-3-yloxy]-propionitrile

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Technology Process of 3-[4-{4-[1-(3-fluoro-phenyl)pyrrolidin-3-yloxy]-phenyl}-5-[4-(3-methoxy-propyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]-1-(toluene-4-sulfonyl)-piperidin-3-yloxy]-propionitrile

There total 16 articles about 3-[4-{4-[1-(3-fluoro-phenyl)pyrrolidin-3-yloxy]-phenyl}-5-[4-(3-methoxy-propyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]-1-(toluene-4-sulfonyl)-piperidin-3-yloxy]-propionitrile 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:

: 4-{4-[1-(3-fluoro-phenyl)pyrrolidin-3-yloxy]-phenyl}-5-[4-(3-methoxy-propyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]-1-(toluene-4-sulfonyl)-piperidin-3-ol

: 107-13-1,25014-41-9
acrylonitrile

: 873946-54-4
3-[4-{4-[1-(3-fluoro-phenyl)pyrrolidin-3-yloxy]-phenyl}-5-[4-(3-methoxy-propyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]-1-(toluene-4-sulfonyl)-piperidin-3-yloxy]-propionitrile

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 - 50 ℃; for 72h;

Reference yield:

: 857272-02-7
6-chloromethyl-4-(3-methoxy-propyl)-4H-benzo[1,4]oxazin-3-one

: 873946-54-4
3-[4-{4-[1-(3-fluoro-phenyl)pyrrolidin-3-yloxy]-phenyl}-5-[4-(3-methoxy-propyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]-1-(toluene-4-sulfonyl)-piperidin-3-yloxy]-propionitrile

Guidance literature:: Multi-step reaction with 6 steps

1: sodium hydride / N,N-dimethyl-formamide / 19 h / -10 - 20 °C

2: borane-THF / tetrahydrofuran / 1 - 3 h / 20 °C

3: tetrabutyl ammonium fluoride / tetrahydrofuran / 1 - 2 h / 20 °C

4: hydrogen / palladium 10% on activated carbon / tetrahydrofuran; methanol / 2 - 20 h / 15 - 20 °C

5: sodium carbonate / water; ethyl acetate / 1 h / 0 °C

6: 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 72 h / 20 - 50 °C

With borane-THF; tetrabutyl ammonium fluoride; hydrogen; sodium hydride; sodium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; palladium 10% on activated carbon; In tetrahydrofuran; methanol; water; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;

Reference yield:

: 857272-03-8
6-hydroxymethyl-4-(3-methoxy-propyl)-4H-benzo[1,4]oxazin-3-one

: 873946-54-4
3-[4-{4-[1-(3-fluoro-phenyl)pyrrolidin-3-yloxy]-phenyl}-5-[4-(3-methoxy-propyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]-1-(toluene-4-sulfonyl)-piperidin-3-yloxy]-propionitrile

Guidance literature:: Multi-step reaction with 7 steps

1: thionyl chloride / pyridine; dichloromethane / 1 h / 0 - 20 °C

2: sodium hydride / N,N-dimethyl-formamide / 19 h / -10 - 20 °C

3: borane-THF / tetrahydrofuran / 1 - 3 h / 20 °C

4: tetrabutyl ammonium fluoride / tetrahydrofuran / 1 - 2 h / 20 °C

5: hydrogen / palladium 10% on activated carbon / tetrahydrofuran; methanol / 2 - 20 h / 15 - 20 °C

6: sodium carbonate / water; ethyl acetate / 1 h / 0 °C

7: 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 72 h / 20 - 50 °C

With thionyl chloride; borane-THF; tetrabutyl ammonium fluoride; hydrogen; sodium hydride; sodium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; palladium 10% on activated carbon; In tetrahydrofuran; pyridine; methanol; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;