methyl N-{3-[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]propanoyl}-2-methylalaninate

Base Information

Chemical Name:methyl N-{3-[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]propanoyl}-2-methylalaninate
CAS No.:1345983-95-0
Molecular Formula:C₃₀H₄₂N₂O₆S
Molecular Weight:558.739
Hs Code.:

Synonyms:methyl N-{3-[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]propanoyl}-2-methylalaninate

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Chemical Property of methyl N-{3-[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]propanoyl}-2-methylalaninate

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Technology Process of methyl N-{3-[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]propanoyl}-2-methylalaninate

There total 6 articles about methyl N-{3-[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]propanoyl}-2-methylalaninate 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: 89.0%

: 1345982-43-5
3-[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxo-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]propanoic acid

: 15028-41-8
methyl 2-aminoisobutyrate hydrochloride

: 1345983-95-0
methyl N-{3-[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]propanoyl}-2-methylalaninate

Guidance literature:: With N-ethyl-N,N-diisopropylamine; HATU; In dichloromethane; at 20 ℃;

Reference yield:

: (3R,5R)-3-butyl-3-ethyl-2,3,4,5-tetrahydro-7,8-dimethoxy-5-phenyl-1-4-benzothiazepine-1,1-dioxide

: 1345983-95-0
methyl N-{3-[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]propanoyl}-2-methylalaninate

Guidance literature:: Multi-step reaction with 6 steps

1.1: hydrogenchloride; aluminum (III) chloride / 1,2-dichloro-ethane / 2.5 h / 20 °C

1.2: Cooling with ice

2.1: pyridine / dichloromethane / 0.5 h / 0 - 10 °C / Inert atmosphere

3.1: triethylamine / bis-triphenylphosphine-palladium(II) chloride / N,N-dimethyl-formamide / 120 °C / sealed tube

4.1: hydrogen / palladium 10% on activated carbon / ethanol / 20 °C / 760.05 Torr

5.1: water; lithium hydroxide / tetrahydrofuran; methanol / 20 °C

5.2: pH 1 - 2

6.1: N-ethyl-N,N-diisopropylamine; HATU / dichloromethane / 20 °C

With pyridine; hydrogenchloride; aluminum (III) chloride; water; hydrogen; triethylamine; N-ethyl-N,N-diisopropylamine; HATU; lithium hydroxide; bis-triphenylphosphine-palladium(II) chloride; palladium 10% on activated carbon; In tetrahydrofuran; methanol; ethanol; dichloromethane; 1,2-dichloro-ethane; N,N-dimethyl-formamide;

Reference yield:

: (3R,5R)-3-butyl-3-ethyl-2,3,4,5-tetrahydro-7-methoxy-5-phenyl-1,4-benzothiazepine-8-ol 1,1-dioxide

: 1345983-95-0
methyl N-{3-[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]propanoyl}-2-methylalaninate

Guidance literature:: Multi-step reaction with 5 steps

1.1: pyridine / dichloromethane / 0.5 h / 0 - 10 °C / Inert atmosphere

2.1: triethylamine / bis-triphenylphosphine-palladium(II) chloride / N,N-dimethyl-formamide / 120 °C / sealed tube

3.1: hydrogen / palladium 10% on activated carbon / ethanol / 20 °C / 760.05 Torr

4.1: water; lithium hydroxide / tetrahydrofuran; methanol / 20 °C

4.2: pH 1 - 2

5.1: N-ethyl-N,N-diisopropylamine; HATU / dichloromethane / 20 °C

With pyridine; water; hydrogen; triethylamine; N-ethyl-N,N-diisopropylamine; HATU; lithium hydroxide; bis-triphenylphosphine-palladium(II) chloride; palladium 10% on activated carbon; In tetrahydrofuran; methanol; ethanol; dichloromethane; N,N-dimethyl-formamide;