3-(4-tert-Butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyric acid (3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[3-(4-tert-butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyryloxy]-6-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester

Base Information

Chemical Name:3-(4-tert-Butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyric acid (3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[3-(4-tert-butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyryloxy]-6-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester
CAS No.:198560-58-6
Molecular Formula:C₅₃H₇₈N₂O₁₃S₂
Molecular Weight:1015.34
Hs Code.:

3-(4-tert-Butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyric acid (3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[3-(4-tert-butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyryloxy]-6-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester

Synonyms:3-(4-tert-Butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyric acid (3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[3-(4-tert-butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyryloxy]-6-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester

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Chemical Property of 3-(4-tert-Butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyric acid (3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[3-(4-tert-butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyryloxy]-6-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester

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Technology Process of 3-(4-tert-Butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyric acid (3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[3-(4-tert-butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyryloxy]-6-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester

There total 7 articles about 3-(4-tert-Butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyric acid (3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[3-(4-tert-butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyryloxy]-6-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl 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:

: 189894-04-0
3-(4-tert-Butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyric acid (3S,5S,8R,9S,10S,13S,14S,17S)-3-[3-(4-tert-butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyryloxy]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl ester

: 198560-58-6
3-(4-tert-Butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyric acid (3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[3-(4-tert-butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyryloxy]-6-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester

Guidance literature:: With pyridine; iodobenzene; cytochrome P-450 enzyme; In water; for 2h; Ambient temperature;
DOI:10.1021/ja9704951

Reference yield:

: 939-97-9
4-tert-Butylbenzaldehyde

: 198560-58-6
3-(4-tert-Butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyric acid (3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[3-(4-tert-butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyryloxy]-6-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester

Guidance literature:: Multi-step reaction with 6 steps

1.1: pyrrolidine / ethanol / 3 h / 60 °C

1.2: 89 percent / NaOEt / ethanol / 24 h / Heating

2.1: 4.6 g / acetic anhydride / Heating

3.1: 67 percent / p-toluenesulfonic acid / toluene / Heating

4.1: 67 percent / 1-(3-diethylaminopropyl)-3-ethylcarbodiimide hydrochloride / CH₂Cl₂

5.1: 137 mg / NEt₃ / dimethylformamide / 20 °C

6.1: 5,10,15,20-(p-β-CD-CH2SC6F4)4-porphyrinatomanganese Cl(1-); PhIO; pyridine / H2O; methanol / 2 h / 20 °C

With pyrrolidine; pyridine; N-[3-(diethylamino)propyl]-N'-ethylcarbodiimide hydrochloride; iodosylbenzene; 5,10,15,20-(p-β-CD-CH2SC6F4)4-porphyrinatomanganese Cl(1-); acetic anhydride; toluene-4-sulfonic acid; triethylamine; In methanol; ethanol; dichloromethane; water; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jo020174u

Reference yield:

: 571-20-0
5-androgen-3,17-diol

: 198560-58-6
3-(4-tert-Butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyric acid (3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[3-(4-tert-butyl-phenyl)-4-(2-sulfo-ethylcarbamoyl)-butyryloxy]-6-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 67 percent / p-toluenesulfonic acid / toluene / Heating

2: 67 percent / 1-(3-diethylaminopropyl)-3-ethylcarbodiimide hydrochloride / CH₂Cl₂

3: 137 mg / NEt₃ / dimethylformamide / 20 °C

4: 5,10,15,20-(p-β-CD-CH2SC6F4)4-porphyrinatomanganese Cl(1-); PhIO; pyridine / H2O; methanol / 2 h / 20 °C

With pyridine; N-[3-(diethylamino)propyl]-N'-ethylcarbodiimide hydrochloride; iodosylbenzene; 5,10,15,20-(p-β-CD-CH2SC6F4)4-porphyrinatomanganese Cl(1-); toluene-4-sulfonic acid; triethylamine; In methanol; dichloromethane; water; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jo020174u