Benzoic acid (3S,5S,8R,9S,10S,12R,13S)-3-acetoxy-17-[(1S,2R)-1,5-dimethyl-2-(2,2,2-trifluoro-acetoxy)-hex-5-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl ester

Base Information

Chemical Name:Benzoic acid (3S,5S,8R,9S,10S,12R,13S)-3-acetoxy-17-[(1S,2R)-1,5-dimethyl-2-(2,2,2-trifluoro-acetoxy)-hex-5-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl ester
CAS No.:868162-64-5
Molecular Formula:C₃₈H₄₇F₃O₆
Molecular Weight:656.783
Hs Code.:

Benzoic acid (3S,5S,8R,9S,10S,12R,13S)-3-acetoxy-17-[(1S,2R)-1,5-dimethyl-2-(2,2,2-trifluoro-acetoxy)-hex-5-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl ester

Synonyms:Benzoic acid (3S,5S,8R,9S,10S,12R,13S)-3-acetoxy-17-[(1S,2R)-1,5-dimethyl-2-(2,2,2-trifluoro-acetoxy)-hex-5-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl ester

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Chemical Property of Benzoic acid (3S,5S,8R,9S,10S,12R,13S)-3-acetoxy-17-[(1S,2R)-1,5-dimethyl-2-(2,2,2-trifluoro-acetoxy)-hex-5-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl ester

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Technology Process of Benzoic acid (3S,5S,8R,9S,10S,12R,13S)-3-acetoxy-17-[(1S,2R)-1,5-dimethyl-2-(2,2,2-trifluoro-acetoxy)-hex-5-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl ester

There total 3 articles about Benzoic acid (3S,5S,8R,9S,10S,12R,13S)-3-acetoxy-17-[(1S,2R)-1,5-dimethyl-2-(2,2,2-trifluoro-acetoxy)-hex-5-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1H-cyclopenta[a]phenanthren-12-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: 97.0%

: 68602-57-3
trifluoroacetyl triflate

: 404574-43-2
3β-acetoxy-12β-benzoyloxy-5α-furostan-14,26-diene

: 868162-64-5
Benzoic acid (3S,5S,8R,9S,10S,12R,13S)-3-acetoxy-17-[(1S,2R)-1,5-dimethyl-2-(2,2,2-trifluoro-acetoxy)-hex-5-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl ester

Guidance literature:: With 2,6-di-tert-butyl-4-methylpyridine; In dichloromethane; at -40 - -30 ℃; for 1h;
DOI:10.1021/ja0531935

Reference yield:

: Benzoic acid (2S,4aS,4bS,6R,6aR,6bR,7S,8R,9aS,10bR,12aS)-2-acetoxy-8-((R)-4-iodo-3-methyl-butyl)-4a,6a,7-trimethyl-2,3,4,4a,4b,5,6,6a,6b,7,8,9a,10b,11,12,12a-hexadecahydro-1H-9-oxa-pentaleno[2,1-a]phenanthren-6-yl ester

: 868162-64-5
Benzoic acid (3S,5S,8R,9S,10S,12R,13S)-3-acetoxy-17-[(1S,2R)-1,5-dimethyl-2-(2,2,2-trifluoro-acetoxy)-hex-5-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl ester

Guidance literature:: Multi-step reaction with 2 steps

1: DBU / dimethylformamide / 1 h / 90 °C

2: 97 percent / 2,6-di-tert-butyl-4-methylpyridine / CH₂Cl₂ / 1 h / -40 - -30 °C

With 2,6-di-tert-butyl-4-methylpyridine; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/ja0531935

Reference yield:

: 3β-acetoxy-12β-benzoyloxy-5α-spirostan-14-ene

: 868162-64-5
Benzoic acid (3S,5S,8R,9S,10S,12R,13S)-3-acetoxy-17-[(1S,2R)-1,5-dimethyl-2-(2,2,2-trifluoro-acetoxy)-hex-5-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: BF₃*OEt₂; Et₃SiH / CH₂Cl₂

1.2: imidazole; I₂; PH₃P / diethyl ether; acetonitrile

2.1: DBU / dimethylformamide / 1 h / 90 °C

3.1: 97 percent / 2,6-di-tert-butyl-4-methylpyridine / CH₂Cl₂ / 1 h / -40 - -30 °C

With triethylsilane; 2,6-di-tert-butyl-4-methylpyridine; boron trifluoride diethyl etherate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/ja0531935