Benzoic acid (3S,5S,9R,10S,13R,14S,17R)-14-cyano-10,13-dimethyl-17-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

Base Information

• Chemical Name: Benzoic acid (3S,5S,9R,10S,13R,14S,17R)-14-cyano-10,13-dimethyl-17-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
• CAS No.: 136209-59-1
• Molecular Formula: C₃₆H₄₉NO₂
• Molecular Weight: 527.791

Synonyms:

Chemical Property of Benzoic acid (3S,5S,9R,10S,13R,14S,17R)-14-cyano-10,13-dimethyl-17-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

Chemical Property:

Purity/Quality:

Safty Information:

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Useful:

Technology Process of Benzoic acid (3S,5S,9R,10S,13R,14S,17R)-14-cyano-10,13-dimethyl-17-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

There total 5 articles about Benzoic acid (3S,5S,9R,10S,13R,14S,17R)-14-cyano-10,13-dimethyl-17-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-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:

benzoic acid-(5α-ergostadien-(7.22t)-yl-(3β)-ester) (4356-17-6) → Benzoic acid (3S,5S,9R,10S,13R,14S,17R)-14-cyano-10,13-dimethyl-17-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester (136209-59-1)

Guidance literature:

Multi-step reaction with 6 steps

1: 1) SeO₂, HOAc, 2) CrO₃, H₂O / 1) H₂O, toluene, r.t.

2: Zn, HOAc / Heating

3: toluene / 0.5 h / 0 °C

4: NaBH₄ / CH₂Cl₂; methanol; toluene

5: pyridine / Ambient temperature

6: 2,4,6-collidine / Heating

With pyridine; 2,4,6-trimethyl-pyridine; chromium(VI) oxide; sodium tetrahydroborate; selenium(IV) oxide; water; acetic acid; zinc; In methanol; dichloromethane; toluene;

DOI:10.1021/jo00038a024

Reference yield:

Benzoic acid (3S,5R,9R,10S,13R,17R)-10,13-dimethyl-7-oxo-17-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-2,3,4,5,6,7,9,10,11,12,13,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester (116930-12-2) → Benzoic acid (3S,5S,9R,10S,13R,14S,17R)-14-cyano-10,13-dimethyl-17-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester (136209-59-1)

Guidance literature:

Multi-step reaction with 4 steps

1: toluene / 0.5 h / 0 °C

2: NaBH₄ / CH₂Cl₂; methanol; toluene

3: pyridine / Ambient temperature

4: 2,4,6-collidine / Heating

With pyridine; 2,4,6-trimethyl-pyridine; sodium tetrahydroborate; In methanol; dichloromethane; toluene;

DOI:10.1021/jo00038a024

Reference yield:

Benzoic acid (3S,5R,8R,9S,10S,13R,14R,17R)-14-cyano-10,13-dimethyl-7-oxo-17-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester (136209-58-0) → Benzoic acid (3S,5S,9R,10S,13R,14S,17R)-14-cyano-10,13-dimethyl-17-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester (136209-59-1)

Guidance literature:

Multi-step reaction with 3 steps

1: NaBH₄ / CH₂Cl₂; methanol; toluene

2: pyridine / Ambient temperature

3: 2,4,6-collidine / Heating

With pyridine; 2,4,6-trimethyl-pyridine; sodium tetrahydroborate; In methanol; dichloromethane; toluene;

DOI:10.1021/jo00038a024

upstream raw materials:

benzoic acid-(5α-ergostadien-(7.22t)-yl-(3β)-ester)

Benzoic acid (3S,5R,9R,10S,13R,17R)-10,13-dimethyl-7-oxo-17-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-2,3,4,5,6,7,9,10,11,12,13,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

Benzoic acid (3S,5R,8R,9S,10S,13R,14R,17R)-14-cyano-10,13-dimethyl-7-oxo-17-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester

Benzoic acid (3S,5R,8R,9R,10S,13R,14S,17R)-10,13-dimethyl-7-oxo-17-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-tetradecahydro-20-oxa-cyclopropa[8,14]cyclopenta[a]phenanthren-3-yl ester

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