methyl 3α,7α-diacetoxy-12α-[4-(N,N-dimethylamino)-benzoyloxy]-5β-cholan-24-oate

Base Information

• Chemical Name: methyl 3α,7α-diacetoxy-12α-[4-(N,N-dimethylamino)-benzoyloxy]-5β-cholan-24-oate
• CAS No.: 1239891-50-9
• Molecular Formula: C₃₈H₅₅NO₈
• Molecular Weight: 653.857
• Mol file: 1239891-50-9.mol

Synonyms:methyl 3α,7α-diacetoxy-12α-[4-(N,N-dimethylamino)-benzoyloxy]-5β-cholan-24-oate

Chemical Property of methyl 3α,7α-diacetoxy-12α-[4-(N,N-dimethylamino)-benzoyloxy]-5β-cholan-24-oate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl 3α,7α-diacetoxy-12α-[4-(N,N-dimethylamino)-benzoyloxy]-5β-cholan-24-oate

There total 1 articles about methyl 3α,7α-diacetoxy-12α-[4-(N,N-dimethylamino)-benzoyloxy]-5β-cholan-24-oate 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: 88.0%

4-(dimethylamino)benzoyl chloride (4755-50-4) + methyl 3α,7α-diacetoxy-12α-hydroxy cholanate (3749-87-9) → methyl 3α,7α-diacetoxy-12α-[4-(N,N-dimethylamino)-benzoyloxy]-5β-cholan-24-oate (1239891-50-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 10.5h; Inert atmosphere;

DOI:10.1039/b924176k

Reference yield:

methyl 3α,7α-diacetoxy-12α-[4-(N,N-dimethylamino)-benzoyloxy]-5β-cholan-24-oate (1239891-50-9) → C36H53NO7 (1239891-51-0)

Guidance literature:

With hydrogenchloride; water; In methanol; at 20 ℃; for 6h;

DOI:10.1039/b924176k

Reference yield:

methyl 3α,7α-diacetoxy-12α-[4-(N,N-dimethylamino)-benzoyloxy]-5β-cholan-24-oate (1239891-50-9) → C37H55NO9S (1239891-52-1)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride; water / methanol / 6 h / 20 °C

2: dmap; triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran / 20 °C / Inert atmosphere

With hydrogenchloride; dmap; water; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; methanol; 2: Mitsunobu reaction;

DOI:10.1039/b924176k

upstream raw materials:

4-(dimethylamino)benzoyl chloride

methyl 3α,7α-diacetoxy-12α-hydroxy cholanate

Downstream raw materials:

C₃₇H₅₅NO₉S

methyl 3α-azido-7α-acetoxy-12α-[4-(N,N-dimethylamino)-benzoyloxy]-5β-cholan-24-oate

C₃₆H₅₄N₂O₆

C₃₉H₅₈N₄O₆