2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-benzonitrile

Base Information

Chemical Name:2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-benzonitrile
CAS No.:275806-12-7
Molecular Formula:C₂₇H₃₀N₄O₃
Molecular Weight:458.56
Hs Code.:

2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[hydroxy-(3-methyl-3<i>H</i>-imidazol-4-yl)-methyl]-benzonitrile

Synonyms:2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-benzonitrile

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Chemical Property of 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-benzonitrile

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Technology Process of 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-benzonitrile

There total 14 articles about 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-benzonitrile 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: 36.0%

: 71556-74-6
3-Ethyl-hexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one

: 222978-26-9
2-Fluoro-4-[hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-benzonitrile

: 275806-12-7
2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-benzonitrile

Guidance literature:: With potassium fluoride on basic alumina; 18-crown-6 ether; In acetonitrile; Heating;
DOI:10.1021/jm020587n

Reference yield:

: 452-74-4
4-bromo-3-fluorotoluene

: 275806-12-7
2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-benzonitrile

Guidance literature:: Multi-step reaction with 10 steps

1.1: 88 percent / aq. KMnO₄; pyridine / 90 °C

2.1: 98 percent / borane-THF complex / tetrahydrofuran / 10 - 20 °C

3.1: 75 percent / Pd(PPh₃)4 / dimethylformamide / 18 h / 95 °C

4.1: 90 percent / Et₃N; DMSO; pyridine*SO₃ / CH₂Cl₂ / 2 h / 5 - 20 °C

5.1: EtMgBr / CH₂Cl₂ / 3 h / 20 °C

5.2: 98 percent / CH₂Cl₂ / 2 h / -78 - 20 °C

6.1: 100 percent / pyridine / dimethylformamide / 3 h

7.1: ethyl acetate / 60 °C

8.1: 0.838 g / MeOH / 1 h / Heating

9.1: 91 percent / aq. NaOH / tetrahydrofuran / 1 h / 20 °C

10.1: 36 percent / KF*Al₂O₃; 18-crown-6 / acetonitrile / Heating

With pyridine; methanol; sodium hydroxide; potassium permanganate; potassium fluoride on basic alumina; tetrakis(triphenylphosphine) palladium⁽⁰⁾; borane-THF; 18-crown-6 ether; ethylmagnesium bromide; sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine; In tetrahydrofuran; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetonitrile; 4.1: Swern oxidation / 5.2: Grignard reaction;
DOI:10.1021/jm020587n

Reference yield:

: 222978-01-0
4-bromo-3-fluorobenzyl alcohol

: 275806-12-7
2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-benzonitrile

Guidance literature:: Multi-step reaction with 8 steps

1.1: 75 percent / Pd(PPh₃)4 / dimethylformamide / 18 h / 95 °C

2.1: 90 percent / Et₃N; DMSO; pyridine*SO₃ / CH₂Cl₂ / 2 h / 5 - 20 °C

3.1: EtMgBr / CH₂Cl₂ / 3 h / 20 °C

3.2: 98 percent / CH₂Cl₂ / 2 h / -78 - 20 °C

4.1: 100 percent / pyridine / dimethylformamide / 3 h

5.1: ethyl acetate / 60 °C

6.1: 0.838 g / MeOH / 1 h / Heating

7.1: 91 percent / aq. NaOH / tetrahydrofuran / 1 h / 20 °C

8.1: 36 percent / KF*Al₂O₃; 18-crown-6 / acetonitrile / Heating

With pyridine; methanol; sodium hydroxide; potassium fluoride on basic alumina; tetrakis(triphenylphosphine) palladium⁽⁰⁾; 18-crown-6 ether; ethylmagnesium bromide; sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine; In tetrahydrofuran; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetonitrile; 2.1: Swern oxidation / 3.2: Grignard reaction;
DOI:10.1021/jm020587n