benzoic acid 4-[3-allyloxycarbonylamino-12-(2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester

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Chemical Name:benzoic acid 4-[3-allyloxycarbonylamino-12-(2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester
CAS No.:307950-94-3
Molecular Formula:C₆₄H₈₀N₄O₉
Molecular Weight:1049.36
Hs Code.:

benzoic acid 4-[3-allyloxycarbonylamino-12-(2-<i>tert</i>-butoxycarbonylamino-3-phenyl-propionylamino)-7-(9<i>H</i>-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[<i>a</i>]phenanthren-17-yl]-pentyl ester

Synonyms:benzoic acid 4-[3-allyloxycarbonylamino-12-(2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester

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Chemical Property of benzoic acid 4-[3-allyloxycarbonylamino-12-(2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester

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Technology Process of benzoic acid 4-[3-allyloxycarbonylamino-12-(2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester

There total 16 articles about benzoic acid 4-[3-allyloxycarbonylamino-12-(2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-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: 93.0%

: 13734-34-4
N-tert-butoxycarbonyl-L-phenylalanine

: 307951-04-8
Benzoic acid (R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-allyloxycarbonylamino-12-amino-7-(9H-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester

: 307950-94-3
benzoic acid 4-[3-allyloxycarbonylamino-12-(2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester

Guidance literature:: With 1-hydroxy-7-aza-benzotriazole; diisopropyl-carbodiimide; In dichloromethane; for 3h;
DOI:10.1021/ol006336v

Reference yield:

: 3758-71-2
3α,7α,12α-trihydroxycholan-24-ol

: 307950-94-3
benzoic acid 4-[3-allyloxycarbonylamino-12-(2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester

Guidance literature:: Multi-step reaction with 15 steps

1: 87 percent / DMAP; triethylamine / CH₂Cl₂ / 24 h / 20 °C

2: 99 percent / pyridinium dichromate; 4A sieves / CH₂Cl₂ / 20 h / 20 °C

3: 100 percent / hydroxylamine hydrochloride; NaOAc / aq. ethanol / 15 h / Heating

4: 96 percent / Na / propan-1-ol / 20 h / Heating

5: 93 percent / Et₃N / CH₂Cl₂ / 20 h / 20 °C

6: 78 percent / DMAP; Et₃N / CH₂Cl₂ / 20 h / 20 °C

7: 97 percent / pyridinium dichromate; 4A sieves / CH₂Cl₂ / 20 h / 20 °C

8: 97 percent / hydroxylamine hydrochloride; NaOAc / aq. ethanol / 22 h / Heating

9: 38 percent / H₂ / PtO₂ / acetic acid / 144 h / 20 °C / 46544.6 Torr

10: 89 percent / pyridine / tetrahydrofuran / 20 °C

11: 94 percent / diisopropylethylamine / CH₂Cl₂ / 20 °C

12: 84 percent / p-toluenesulfonic acid / CH₂Cl₂ / 1 h / 20 °C

13: 98 percent / Et₃N; DMAP / CH₂Cl₂ / 6 h / 20 °C

14: 99 percent / TFA / CH₂Cl₂ / 2 h / 20 °C

15: 93 percent / diisopropylcarbodiimide; 1-hydroxy-7-azabenzotriazole / CH₂Cl₂ / 3 h

With pyridine; dmap; dipyridinium dichromate; 1-hydroxy-7-aza-benzotriazole; 4 A molecular sieve; hydroxylamine hydrochloride; hydrogen; sodium acetate; sodium; toluene-4-sulfonic acid; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; diisopropyl-carbodiimide; platinum(IV) oxide; In tetrahydrofuran; propan-1-ol; ethanol; dichloromethane; acetic acid; 1: Acetylation / 2: Oxidation / 3: Condensation / 4: Reduction / 5: Acylation / 6: Substitution / 7: Oxidation / 8: Condensation / 9: Reduction / 10: Acylation / 11: Acylation / 12: detritylation / 13: Addition / 14: Hydrolysis / 15: Acylation;
DOI:10.1021/ol006336v

Reference yield:

: 307950-97-6
Acetic acid (3R,5S,7R,8R,9S,10S,13R,14S,17R)-3-acetoxy-17-((R)-4-acetoxy-1-methyl-butyl)-10,13-dimethyl-12-oxo-hexadecahydro-cyclopenta[a]phenanthren-7-yl ester

: 307950-94-3
benzoic acid 4-[3-allyloxycarbonylamino-12-(2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester

Guidance literature:: Multi-step reaction with 13 steps

1: 100 percent / hydroxylamine hydrochloride; NaOAc / aq. ethanol / 15 h / Heating

2: 96 percent / Na / propan-1-ol / 20 h / Heating

3: 93 percent / Et₃N / CH₂Cl₂ / 20 h / 20 °C

4: 78 percent / DMAP; Et₃N / CH₂Cl₂ / 20 h / 20 °C

5: 97 percent / pyridinium dichromate; 4A sieves / CH₂Cl₂ / 20 h / 20 °C

6: 97 percent / hydroxylamine hydrochloride; NaOAc / aq. ethanol / 22 h / Heating

7: 38 percent / H₂ / PtO₂ / acetic acid / 144 h / 20 °C / 46544.6 Torr

8: 89 percent / pyridine / tetrahydrofuran / 20 °C

9: 94 percent / diisopropylethylamine / CH₂Cl₂ / 20 °C

10: 84 percent / p-toluenesulfonic acid / CH₂Cl₂ / 1 h / 20 °C

11: 98 percent / Et₃N; DMAP / CH₂Cl₂ / 6 h / 20 °C

12: 99 percent / TFA / CH₂Cl₂ / 2 h / 20 °C

13: 93 percent / diisopropylcarbodiimide; 1-hydroxy-7-azabenzotriazole / CH₂Cl₂ / 3 h

With pyridine; dmap; dipyridinium dichromate; 1-hydroxy-7-aza-benzotriazole; 4 A molecular sieve; hydroxylamine hydrochloride; hydrogen; sodium acetate; sodium; toluene-4-sulfonic acid; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; diisopropyl-carbodiimide; platinum(IV) oxide; In tetrahydrofuran; propan-1-ol; ethanol; dichloromethane; acetic acid; 1: Condensation / 2: Reduction / 3: Acylation / 4: Substitution / 5: Oxidation / 6: Condensation / 7: Reduction / 8: Acylation / 9: Acylation / 10: detritylation / 11: Addition / 12: Hydrolysis / 13: Acylation;
DOI:10.1021/ol006336v