ChemicalBook CAS DataBase List 2(1H)-Isoquinolinecarboxylic acid, 5,7-dichloro-3,4-dihydro-6-[[[(1S)-1-[[3-(methylsulfonyl)phenyl]methyl]-2-oxo-2-(phenylmethoxy)ethyl]amino]carbonyl]-, 1,1-dimethylethyl ester

2(1H)-Isoquinolinecarboxylic acid, 5,7-dichloro-3,4-dihydro-6-[[[(1S)-1-[[3-(methylsulfonyl)phenyl]methyl]-2-oxo-2-(phenylmethoxy)ethyl]amino]carbonyl]-, 1,1-dimethylethyl ester synthesis

13synthesis methods

Product Name:2(1H)-Isoquinolinecarboxylic acid, 5,7-dichloro-3,4-dihydro-6-[[[(1S)-1-[[3-(methylsulfonyl)phenyl]methyl]-2-oxo-2-(phenylmethoxy)ethyl]amino]carbonyl]-, 1,1-dimethylethyl ester
CAS Number:1194550-61-2
Molecular formula:C32H34Cl2N2O7S
Molecular Weight:661.59

851784-82-2 Synthesis

2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

851784-82-2
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1194550-59-8 Synthesis

benzyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate

1194550-59-8
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$43.00/1g

2(1H)-Isoquinolinecarboxylic acid, 5,7-dichloro-3,4-dihydro-6-[[[(1S)-1-[[3-(methylsulfonyl)phenyl]methyl]-2-oxo-2-(phenylmethoxy)ethyl]amino]carbonyl]-, 1,1-dimethylethyl ester

1194550-61-2
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Yield:1194550-61-2 170 g

Reaction Conditions:

with 1-hydroxy-7-aza-benzotriazole;1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride;triethylamine in N,N-dimethyl-formamide at 20;Reagent/catalyst;Solvent;

Steps:

1 Example 1: Preparation of compound of formula V

To a solution of 2-(tert-butoxycarbonyl)-5,7-dichloro-l,2,3,4-tetrahydroisoquinoline-6- carboxylic acid (compound VII, lOOgm) and Benzyl (,S)-2-amino-3-[3- (methylsulfonyl)phenyl]propionate hydrochloride (compound VI, 112.17gm) in DMF was added EDC.HC1 (83gm), HOAt (58.96gm) followed by triethyl amine (87.6gm) under stirring at room temperature. After completion of reaction, the reaction mass was added slowly to water, stirred for 2-3 hours and the precipitated solid was filtered. The solid obtained was washed with water. The wet cake was stirred in 5% aq. potassium carbonate and filtered. The solid was washed with water and dried under vacuum at 40- 45°C for 12 hours to afford the title compound (0324) Yield: 170 gm, HPLC Purity: 95.68 %.

References:

WO2019/53607,2019,A1 Location in patent:Paragraph 0207