Benzoic acid (3S,5R,10S,13R,14S,15S,17R)-17-((R)-1,5-dimethyl-hexyl)-15-hydroxy-4,4,10,13-tetramethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

Base Information

• Chemical Name: Benzoic acid (3S,5R,10S,13R,14S,15S,17R)-17-((R)-1,5-dimethyl-hexyl)-15-hydroxy-4,4,10,13-tetramethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
• CAS No.: 309958-29-0
• Molecular Formula: C₃₆H₅₄O₃
• Molecular Weight: 534.823
• Mol file: 309958-29-0.mol

Synonyms:Benzoic acid (3S,5R,10S,13R,14S,15S,17R)-17-((R)-1,5-dimethyl-hexyl)-15-hydroxy-4,4,10,13-tetramethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

Chemical Property of Benzoic acid (3S,5R,10S,13R,14S,15S,17R)-17-((R)-1,5-dimethyl-hexyl)-15-hydroxy-4,4,10,13-tetramethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzoic acid (3S,5R,10S,13R,14S,15S,17R)-17-((R)-1,5-dimethyl-hexyl)-15-hydroxy-4,4,10,13-tetramethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

There total 8 articles about Benzoic acid (3S,5R,10S,13R,14S,15S,17R)-17-((R)-1,5-dimethyl-hexyl)-15-hydroxy-4,4,10,13-tetramethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-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: 78.0%

Benzoic acid (3S,5R,8R,9S,10R,13R,14R,15S,17R)-17-((R)-1,5-dimethyl-hexyl)-4,4,10,13-tetramethyl-hexadecahydro-20-oxa-cyclopropa[14,15]cyclopenta[a]phenanthren-3-yl ester (309958-28-9) → (3β,5α,20R)-4,4-dimethylcholesta-8,14-dien-3-ol benzoate (103399-79-7) + Benzoic acid (3S,5R,10S,13R,14S,15S,17R)-17-((R)-1,5-dimethyl-hexyl)-15-hydroxy-4,4,10,13-tetramethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester (309958-29-0)

Guidance literature:

With boron trifluoride diethyl etherate; In benzene; at 25 ℃; for 0.5h;

Reference yield: 46.0%

Benzoic acid (3S,5R,8R,9S,10R,13R,14R,15S,17R)-17-((R)-1,5-dimethyl-hexyl)-4,4,10,13-tetramethyl-hexadecahydro-20-oxa-cyclopropa[14,15]cyclopenta[a]phenanthren-3-yl ester (309958-28-9) → Benzoic acid (3S,5R,9R,10R,13R,14R,15S,17R)-17-((R)-1,5-dimethyl-hexyl)-15-hydroxy-4,4,10,13-tetramethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester (309958-30-3) + Benzoic acid (3S,5R,10S,13R,14S,15S,17R)-17-((R)-1,5-dimethyl-hexyl)-15-hydroxy-4,4,10,13-tetramethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester (309958-29-0)

Guidance literature:

With boron trifluoride diethyl etherate; In benzene; at 5 ℃; for 0.133333h;

Reference yield:

(3β,20R)-4,4-dimethylcholesta-5,7-dien-3-ol (53296-71-2) → Benzoic acid (3S,5R,10S,13R,14S,15S,17R)-17-((R)-1,5-dimethyl-hexyl)-15-hydroxy-4,4,10,13-tetramethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester (309958-29-0)

Guidance literature:

Multi-step reaction with 5 steps

1: H₂ / 10 percent Pd/C / ethyl acetate

2: pyridine

3: 70 percent / HCl gas / CH₂Cl₂ / 0.5 h / -20 °C

4: 64 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 1 h / 0 °C

5: 78 percent / BF₃-etherate / benzene / 0.5 h / 25 °C

With pyridine; hydrogenchloride; boron trifluoride diethyl etherate; hydrogen; 3-chloro-benzenecarboperoxoic acid; 10% palladium on active carbon; In dichloromethane; ethyl acetate; benzene;

upstream raw materials:

Benzoic acid (3S,5R,8R,9S,10R,13R,14R,15S,17R)-17-((R)-1,5-dimethyl-hexyl)-4,4,10,13-tetramethyl-hexadecahydro-20-oxa-cyclopropa[14,15]cyclopenta[a]phenanthren-3-yl ester

(3β,20R)-4,4-dimethylcholesta-5,7-dien-3-ol

32-nor-lanosta-5,7-dien-3-one

32-nor-lanost-8(14)-en-3β-ol

Downstream raw materials:

15α-fluoro-8-lanost-8-en-3β-yl benzoate

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

15α-fluorolanost-7-en-3β-yl benzoate

3β-benzoyloxylanost-7-en-15α-ol