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

Base Information

• Chemical Name: Benzoic acid (R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-allyloxycarbonylamino-12-tert-butoxycarbonylamino-7-(9H-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester
• CAS No.: 307950-93-2
• Molecular Formula: C₅₅H₇₁N₃O₈
• Molecular Weight: 902.184

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

Chemical Property of Benzoic acid (R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-allyloxycarbonylamino-12-tert-butoxycarbonylamino-7-(9H-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester

Chemical Property:

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

Technology Process of Benzoic acid (R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-allyloxycarbonylamino-12-tert-butoxycarbonylamino-7-(9H-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester

There total 15 articles about Benzoic acid (R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-allyloxycarbonylamino-12-tert-butoxycarbonylamino-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: 98.0%

benzoyl chloride (98-88-4) + [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-12-tert-Butoxycarbonylamino-7-(9H-fluoren-9-ylmethoxycarbonylamino)-17-((R)-4-hydroxy-1-methyl-butyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl]-carbamic acid allyl ester (307950-86-3) → Benzoic acid (R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-allyloxycarbonylamino-12-tert-butoxycarbonylamino-7-(9H-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester (307950-93-2)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1021/ol006336v

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → Benzoic acid (R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-allyloxycarbonylamino-12-tert-butoxycarbonylamino-7-(9H-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester (307950-93-2)

Guidance literature:

Multi-step reaction with 9 steps

1: 93 percent / Et₃N / CH₂Cl₂ / 20 h / 20 °C

2: 78 percent / DMAP; Et₃N / CH₂Cl₂ / 20 h / 20 °C

3: 97 percent / pyridinium dichromate; 4A sieves / CH₂Cl₂ / 20 h / 20 °C

4: 97 percent / hydroxylamine hydrochloride; NaOAc / aq. ethanol / 22 h / Heating

5: 38 percent / H₂ / PtO₂ / acetic acid / 144 h / 20 °C / 46544.6 Torr

6: 89 percent / pyridine / tetrahydrofuran / 20 °C

7: 94 percent / diisopropylethylamine / CH₂Cl₂ / 20 °C

8: 84 percent / p-toluenesulfonic acid / CH₂Cl₂ / 1 h / 20 °C

9: 98 percent / Et₃N; DMAP / CH₂Cl₂ / 6 h / 20 °C

With pyridine; dmap; dipyridinium dichromate; 4 A molecular sieve; hydroxylamine hydrochloride; hydrogen; sodium acetate; toluene-4-sulfonic acid; triethylamine; N-ethyl-N,N-diisopropylamine; platinum(IV) oxide; In tetrahydrofuran; ethanol; dichloromethane; acetic acid; 1: Acylation / 2: Substitution / 3: Oxidation / 4: Condensation / 5: Reduction / 6: Acylation / 7: Acylation / 8: detritylation / 9: Addition;

DOI:10.1021/ol006336v

Reference yield:

3α,7α,12α-trihydroxycholan-24-ol (3758-71-2) → Benzoic acid (R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-allyloxycarbonylamino-12-tert-butoxycarbonylamino-7-(9H-fluoren-9-ylmethoxycarbonylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester (307950-93-2)

Guidance literature:

Multi-step reaction with 13 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

With pyridine; dmap; dipyridinium dichromate; 4 A molecular sieve; hydroxylamine hydrochloride; hydrogen; sodium acetate; sodium; toluene-4-sulfonic acid; triethylamine; N-ethyl-N,N-diisopropylamine; 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;

DOI:10.1021/ol006336v

upstream raw materials:

benzoyl chloride

[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-12-tert-Butoxycarbonylamino-7-(9H-fluoren-9-ylmethoxycarbonylamino)-17-((R)-4-hydroxy-1-methyl-butyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl]-carbamic acid allyl ester

di-tert-butyl dicarbonate

(fluorenylmethoxy)carbonyl chloride

Downstream raw materials:

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

Benzoic acid (R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3-allyloxycarbonylamino-7-amino-12-((S)-2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester

Benzoic acid (R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7-(2-amino-acetylamino)-12-((S)-2-amino-3-phenyl-propionylamino)-3-((S)-2-amino-propionylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester

Benzoic acid (R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-amino-7-(2-tert-butoxycarbonylamino-acetylamino)-12-((S)-2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentyl ester

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