Thioacetic acid S-{(1S,2S)-2-[(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethylcarbamoyl]-4-methyl-1-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-pentyl} ester

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Chemical Name:Thioacetic acid S-{(1S,2S)-2-[(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethylcarbamoyl]-4-methyl-1-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-pentyl} ester
CAS No.:152615-43-5
Molecular Formula:C₂₇H₄₂N₄O₅S
Molecular Weight:534.72
Hs Code.:

Thioacetic acid S-{(1S,2S)-2-[(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethylcarbamoyl]-4-methyl-1-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-pentyl} ester

Synonyms:Thioacetic acid S-{(1S,2S)-2-[(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethylcarbamoyl]-4-methyl-1-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-pentyl} ester

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Chemical Property of Thioacetic acid S-{(1S,2S)-2-[(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethylcarbamoyl]-4-methyl-1-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-pentyl} ester

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Technology Process of Thioacetic acid S-{(1S,2S)-2-[(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethylcarbamoyl]-4-methyl-1-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-pentyl} ester

There total 15 articles about Thioacetic acid S-{(1S,2S)-2-[(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethylcarbamoyl]-4-methyl-1-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-pentyl} ester 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: 37.0%

: 109-01-3
1-methyl-piperazine

: 152615-35-5
3-acetylthio-6-methyl-4-<<<1-(S)-<(methylamino)carbonyl>-2-(4-methoxyphenyl)ethyl>amino>carbonyl>heptanoic acid

: 152615-43-5
Thioacetic acid S-{(1S,2S)-2-[(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethylcarbamoyl]-4-methyl-1-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-pentyl} ester

Guidance literature:: With N-[3-(diethylamino)propyl]-N'-ethylcarbodiimide hydrochloride; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; In dichloromethane; for 18h; Ambient temperature;
DOI:10.1021/jm00077a006

Reference yield:

: 105-50-0
diethyl 1,3-acetonedicarboxylate

: 152615-43-5
Thioacetic acid S-{(1S,2S)-2-[(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethylcarbamoyl]-4-methyl-1-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-pentyl} ester

Guidance literature:: Multi-step reaction with 10 steps

1: 1.) magnesium ethoxide / 1.) EtOH, reflux, 90 min, 2.) EtOH, reflux, 16 h

2: 100 percent / NaBH₄ / ethanol / 2 h / 5 - 10 °C

3: 1.) P₂O₅, 2.) KOH, 3.) Ac₂O

4: 41 percent / 2 h / Heating

5: 69 percent / 1,1'-carbonyldiimidazole / acetonitrile / 0 - 20 °C

6: 25 percent / 456 h / Ambient temperature

7: 33 percent / 35percent aq. NH₃ / methanol / 3 h / Ambient temperature

8: 65 percent / N-methylmorpholine / CHCl₃ / 72 h / Ambient temperature

9: 77 percent / formic acid / palladium black / methanol / 1.5 h

10: 37 percent / N-ethyl-N'-<(dimethylamino)propyl>carbodiimide hydrochloride, 1-hydroxybenzotriazole, diisopropylethylamine / CH₂Cl₂ / 18 h / Ambient temperature

With 4-methyl-morpholine; potassium hydroxide; ammonium hydroxide; sodium tetrahydroborate; formic acid; N-[3-(diethylamino)propyl]-N'-ethylcarbodiimide hydrochloride; phosphorus pentoxide; magnesium ethylate; acetic anhydride; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; 1,1'-carbonyldiimidazole; palladium; In methanol; ethanol; dichloromethane; chloroform; acetonitrile;
DOI:10.1021/jm00077a006

Reference yield:

: 120699-30-1
2-(2-methylpropyl)-pent-2-enedicarboxylic acid anhydride

: 152615-43-5
Thioacetic acid S-{(1S,2S)-2-[(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethylcarbamoyl]-4-methyl-1-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-pentyl} ester

Guidance literature:: Multi-step reaction with 7 steps

1: 41 percent / 2 h / Heating

2: 69 percent / 1,1'-carbonyldiimidazole / acetonitrile / 0 - 20 °C

3: 25 percent / 456 h / Ambient temperature

4: 33 percent / 35percent aq. NH₃ / methanol / 3 h / Ambient temperature

5: 65 percent / N-methylmorpholine / CHCl₃ / 72 h / Ambient temperature

6: 77 percent / formic acid / palladium black / methanol / 1.5 h

7: 37 percent / N-ethyl-N'-<(dimethylamino)propyl>carbodiimide hydrochloride, 1-hydroxybenzotriazole, diisopropylethylamine / CH₂Cl₂ / 18 h / Ambient temperature

With 4-methyl-morpholine; ammonium hydroxide; formic acid; N-[3-(diethylamino)propyl]-N'-ethylcarbodiimide hydrochloride; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; 1,1'-carbonyldiimidazole; palladium; In methanol; dichloromethane; chloroform; acetonitrile;
DOI:10.1021/jm00077a006