BAR 501

Base Information

• Chemical Name: BAR 501
• CAS No.: 1632118-69-4
• Molecular Formula: C26H46O3
• Molecular Weight: 406.64
• Mol file: 1632118-69-4.mol

Synonyms:BAR 501

Chemical Property of BAR 501

Chemical Property:

• Boiling Point: 527.6±25.0 °C(Predicted)
• PKA: 14.82±0.70(Predicted)
• PSA: 60.69000
• Density: 1.047±0.06 g/cm3(Predicted)
• LogP: 5.02170

Purity/Quality:

99% ^*data from raw suppliers

BAR501 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of BAR 501

There total 25 articles about BAR 501 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: 92.0%

obeticholic acid → (3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol (1537866-49-1,1632118-70-7,1632118-69-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 25 - 65 ℃; for 4h; Inert atmosphere;

DOI:10.1177/1747519819875858

Reference yield: 79.0%

methyl 3α-acetoxy-6β-ethyl-7-keto-5β-cholan-24-oate → 6β-ethyl-3α,7β-dihydroxy-5β-cholan-24-ol (1632118-70-7,1632118-69-4) + 6β-ethyl-3α,7α-dihydroxy-5β-cholan-24-ol (1632118-70-7,1632118-69-4)

Guidance literature:

methyl 3α-acetoxy-6β-ethyl-7-keto-5β-cholan-24-oate; With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 2h;

With lithium borohydride; In tetrahydrofuran; methanol; at 0 ℃;

Reference yield: 79.0%

methyl 3α-acetoxy-6β-ethyl-7-keto-5β-cholan-24-oate → 6β-ethyl-3α,7β-dihydroxy-5β-cholan-24-ol (1632118-70-7,1632118-69-4) + 6β-ethyl-3α,7α-dihydroxy-5β-cholan-24-ol (1632118-70-7,1632118-69-4)

Guidance literature:

methyl 3α-acetoxy-6β-ethyl-7-keto-5β-cholan-24-oate; With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 2h;

With lithium borohydride; In tetrahydrofuran; methanol; at 0 ℃;

upstream raw materials:

methyl (4R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-carboxylic acid methyl ester

3α-hydroxy-6α-ethyl-7-keto-5β-cholanic acid methyl ester

7-ketolithocholic methyl ester