5-Methyl-isoxazole-3-carboxylic acid {(S)-1-[(S)-1-{(S)-2-benzothiazol-2-yl-1-[(S)-1-(2,4-dimethoxy-benzyl)-2-oxo-pyrrolidin-3-ylmethyl]-2-oxo-ethylcarbamoyl}-2-(4-fluoro-phenyl)-ethylcarbamoyl]-2-methyl-propyl}-amide

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Chemical Name:5-Methyl-isoxazole-3-carboxylic acid {(S)-1-[(S)-1-{(S)-2-benzothiazol-2-yl-1-[(S)-1-(2,4-dimethoxy-benzyl)-2-oxo-pyrrolidin-3-ylmethyl]-2-oxo-ethylcarbamoyl}-2-(4-fluoro-phenyl)-ethylcarbamoyl]-2-methyl-propyl}-amide
CAS No.:325482-21-1
Molecular Formula:C₄₂H₄₅FN₆O₈S
Molecular Weight:812.919
Hs Code.:

5-Methyl-isoxazole-3-carboxylic acid {(S)-1-[(S)-1-{(S)-2-benzothiazol-2-yl-1-[(S)-1-(2,4-dimethoxy-benzyl)-2-oxo-pyrrolidin-3-ylmethyl]-2-oxo-ethylcarbamoyl}-2-(4-fluoro-phenyl)-ethylcarbamoyl]-2-methyl-propyl}-amide

Synonyms:5-Methyl-isoxazole-3-carboxylic acid {(S)-1-[(S)-1-{(S)-2-benzothiazol-2-yl-1-[(S)-1-(2,4-dimethoxy-benzyl)-2-oxo-pyrrolidin-3-ylmethyl]-2-oxo-ethylcarbamoyl}-2-(4-fluoro-phenyl)-ethylcarbamoyl]-2-methyl-propyl}-amide

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Chemical Property of 5-Methyl-isoxazole-3-carboxylic acid {(S)-1-[(S)-1-{(S)-2-benzothiazol-2-yl-1-[(S)-1-(2,4-dimethoxy-benzyl)-2-oxo-pyrrolidin-3-ylmethyl]-2-oxo-ethylcarbamoyl}-2-(4-fluoro-phenyl)-ethylcarbamoyl]-2-methyl-propyl}-amide

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Technology Process of 5-Methyl-isoxazole-3-carboxylic acid {(S)-1-[(S)-1-{(S)-2-benzothiazol-2-yl-1-[(S)-1-(2,4-dimethoxy-benzyl)-2-oxo-pyrrolidin-3-ylmethyl]-2-oxo-ethylcarbamoyl}-2-(4-fluoro-phenyl)-ethylcarbamoyl]-2-methyl-propyl}-amide

There total 7 articles about 5-Methyl-isoxazole-3-carboxylic acid {(S)-1-[(S)-1-{(S)-2-benzothiazol-2-yl-1-[(S)-1-(2,4-dimethoxy-benzyl)-2-oxo-pyrrolidin-3-ylmethyl]-2-oxo-ethylcarbamoyl}-2-(4-fluoro-phenyl)-ethylcarbamoyl]-2-methyl-propyl}-amide 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: 94.0%

: 325482-19-7
5-Methyl-isoxazole-3-carboxylic acid {(S)-1-[(S)-1-{(S)-2-benzothiazol-2-yl-1-[(S)-1-(2,4-dimethoxy-benzyl)-2-oxo-pyrrolidin-3-ylmethyl]-2-hydroxy-ethylcarbamoyl}-2-(4-fluoro-phenyl)-ethylcarbamoyl]-2-methyl-propyl}-amide

: 325482-21-1
5-Methyl-isoxazole-3-carboxylic acid {(S)-1-[(S)-1-{(S)-2-benzothiazol-2-yl-1-[(S)-1-(2,4-dimethoxy-benzyl)-2-oxo-pyrrolidin-3-ylmethyl]-2-oxo-ethylcarbamoyl}-2-(4-fluoro-phenyl)-ethylcarbamoyl]-2-methyl-propyl}-amide

Guidance literature:: With Dess-Martin periodane; In dichloromethane; at 23 ℃; for 2h;
DOI:10.1016/S0960-894X(99)00587-9

Reference yield:

: 39499-34-8
5-methyl-3-isoxazolyl chloride

: 325482-21-1
5-Methyl-isoxazole-3-carboxylic acid {(S)-1-[(S)-1-{(S)-2-benzothiazol-2-yl-1-[(S)-1-(2,4-dimethoxy-benzyl)-2-oxo-pyrrolidin-3-ylmethyl]-2-oxo-ethylcarbamoyl}-2-(4-fluoro-phenyl)-ethylcarbamoyl]-2-methyl-propyl}-amide

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / 2,4,6-collidine / CH₂Cl₂ / 0.5 h / 0 °C

2: 94 percent / Dess-Martin periodinane / CH₂Cl₂ / 2 h / 23 °C

With 2,4,6-trimethyl-pyridine; Dess-Martin periodane; In dichloromethane; 1: Acylation / 2: Oxidation;
DOI:10.1016/S0960-894X(99)00587-9

Reference yield:

: 261615-07-0
(S)-2-tert-Butoxycarbonylamino-3-[(S)-1-(2,4-dimethoxy-benzyl)-2-oxo-pyrrolidin-3-yl]-propionic acid

: 325482-21-1
5-Methyl-isoxazole-3-carboxylic acid {(S)-1-[(S)-1-{(S)-2-benzothiazol-2-yl-1-[(S)-1-(2,4-dimethoxy-benzyl)-2-oxo-pyrrolidin-3-ylmethyl]-2-oxo-ethylcarbamoyl}-2-(4-fluoro-phenyl)-ethylcarbamoyl]-2-methyl-propyl}-amide

Guidance literature:: Multi-step reaction with 8 steps

1: 71 percent / NMM; isobutyl chloroformate / CH₂Cl₂ / 2 h / -20 - 23 °C

2: tetrahydrofuran / 4 h / -78 °C

3: 68 percent / NaBH₄ / ethanol / 0 °C

4: HCl / dioxane / 3 h / 23 °C

5: HATU; NMM / acetonitrile / 0.75 h / 0 °C

6: HCl / dioxane / 3 h / 23 °C

7: 65 percent / 2,4,6-collidine / CH₂Cl₂ / 0.5 h / 0 °C

8: 94 percent / Dess-Martin periodinane / CH₂Cl₂ / 2 h / 23 °C

With 4-methyl-morpholine; 2,4,6-trimethyl-pyridine; hydrogenchloride; sodium tetrahydroborate; Dess-Martin periodane; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; isobutyl chloroformate; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; acetonitrile; 1: Condensation / 2: Arylation / 3: Reduction / 4: Acidolysis / 5: Condensation / 6: Acidolysis / 7: Acylation / 8: Oxidation;
DOI:10.1016/S0960-894X(99)00587-9