1H-Pyrrole-1-acetic acid, 2-[3-[[[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-1,2-dihydro-2-oxo-3H-1, 3,4-benzotriazepin-3-yl]acetyl]amino]phenyl]-

Base Information

Chemical Name:1H-Pyrrole-1-acetic acid, 2-[3-[[[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-1,2-dihydro-2-oxo-3H-1, 3,4-benzotriazepin-3-yl]acetyl]amino]phenyl]-
CAS No.:528885-52-1
Molecular Formula:C34H39N5O5
Molecular Weight:597.714
Hs Code.:

1H-Pyrrole-1-acetic acid,
2-[3-[[[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-1,2-dihydro-2-oxo-3H-1,
3,4-benzotriazepin-3-yl]acetyl]amino]phenyl]-

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Chemical Property of 1H-Pyrrole-1-acetic acid, 2-[3-[[[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-1,2-dihydro-2-oxo-3H-1, 3,4-benzotriazepin-3-yl]acetyl]amino]phenyl]-

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Technology Process of 1H-Pyrrole-1-acetic acid, 2-[3-[[[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-1,2-dihydro-2-oxo-3H-1, 3,4-benzotriazepin-3-yl]acetyl]amino]phenyl]-

There total 13 articles about 1H-Pyrrole-1-acetic acid, 2-[3-[[[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-1,2-dihydro-2-oxo-3H-1, 3,4-benzotriazepin-3-yl]acetyl]amino]phenyl]- 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: 63.0%

: 942232-17-9
C₃₅H₄₁N₅O₅

: 528885-52-1
(2-(3-(2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetylamino)-phenyl)-pyrrol-1-yl)-acetic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 16h;
DOI:10.1021/jm070139l

Reference yield:

: 585-79-5
m-nitrobromobenzene

: 528885-52-1
(2-(3-(2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetylamino)-phenyl)-pyrrol-1-yl)-acetic acid

Guidance literature:: Multi-step reaction with 6 steps

1.1: aq. Na₂CO₃ / Pd(PPh₃)4 / methanol; benzene / 18 h / Heating

2.1: 0.47 g / HCl / dioxane / 2 h / 20 °C

3.1: NaH / dimethylformamide / 0.25 h / cooling

3.2: 41 percent / dimethylformamide / 16 h / 20 °C

4.1: 100 percent / SnCl₂*H₂O / ethyl acetate / 3 h / Heating

5.1: 83 percent / HOBt; DMAP; EDCI / dimethylformamide / 16 h / 20 °C

6.1: 63 percent / aq. LiOH / tetrahydrofuran / 16 h / 20 °C

With hydrogenchloride; dmap; lithium hydroxide; sodium hydride; sodium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; tin(ll) chloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; 1,4-dioxane; methanol; ethyl acetate; N,N-dimethyl-formamide; benzene; 1.1: Suzuki coupling;
DOI:10.1021/jm070139l

Reference yield:

: 528882-09-9
(5-cyclohexyl-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetic acid ethyl ester

: 528885-52-1
(2-(3-(2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetylamino)-phenyl)-pyrrol-1-yl)-acetic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: NaH / dimethylformamide / 0.5 h / 20 °C

1.2: 84 percent / dimethylformamide / 2 h / 20 °C

2.1: 95 percent / aq. NaOH / ethanol / 16 h / 20 °C

3.1: 83 percent / HOBt; DMAP; EDCI / dimethylformamide / 16 h / 20 °C

4.1: 63 percent / aq. LiOH / tetrahydrofuran / 16 h / 20 °C

With dmap; lithium hydroxide; sodium hydroxide; sodium hydride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm070139l