Methyl-3,7,12-trihydroxycholest-24-ene-26-oate

Base Information

• Chemical Name: Methyl-3,7,12-trihydroxycholest-24-ene-26-oate
• CAS No.: 144210-47-9
• Molecular Formula: C₂₈H₄₆O₅
• Molecular Weight: 462.67
• Nikkaji Number: J436.629H
• Mol file: 144210-47-9.mol

Synonyms:methyl 3alpha,7alpha,12alpha-trihydroxy-5 beta cholest-24-en-26-oate;methyl-3,7,12-trihydroxycholest-24-ene-26-oate;methyl-3,7,12-trihydroxycholest-24-ene-26-oate, 24Z-isomer

Chemical Property of Methyl-3,7,12-trihydroxycholest-24-ene-26-oate

Chemical Property:

• Vapor Pressure: 5.82E-16mmHg at 25°C
• Boiling Point: 581.8°Cat760mmHg
• Flash Point: 183.8°C
• PSA: 86.99000
• Density: 1.119g/cm³
• LogP: 4.48340
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 462.33452456
• Heavy Atom Count: 33
• Complexity: 763

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC=C(C)C(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
• Isomeric SMILES: C[C@H](CC/C=C(\C)/C(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Technology Process of Methyl-3,7,12-trihydroxycholest-24-ene-26-oate

There total 10 articles about Methyl-3,7,12-trihydroxycholest-24-ene-26-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:

3α,7α,12α-triformyloxy-5β-cholan-24-al (84965-66-2) → methyl (Z)-3α,7α,12α-trihydroxy-5β-cholest-24-en-26-oate (144210-47-9,144210-48-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 93 percent / benzene / 6 h / Heating

2: 5percent methanolic KOH / 2 h / Heating

3: conc. aq. HCl / methanol

With hydrogenchloride; potassium hydroxide; In methanol; benzene;

DOI:10.1016/0039-128X(91)90115-C

Reference yield:

3α,7α,12α-triformyloxy-5β-cholan-24-al (84965-66-2) → methyl (E)-3α,7α,12α-trihydroxy-5β-cholest-24-en-26-oates (144210-47-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 93 percent / benzene / 6 h / Heating

2: 5percent methanolic KOH / 2 h / Heating

3: conc. aq. HCl / methanol

With hydrogenchloride; potassium hydroxide; In methanol; benzene;

DOI:10.1016/0039-128X(91)90115-C

Reference yield:

cholic acid triformate (2097-89-4) → methyl (Z)-3α,7α,12α-trihydroxy-5β-cholest-24-en-26-oate (144210-47-9,144210-48-0)

Guidance literature:

Multi-step reaction with 5 steps

1: tetrahydrofuran / 0.75 h / Heating

2: lithium tri-tert-butoxyaluminohydride (LTBAH) / tetrahydrofuran / 0.5 h

3: 93 percent / benzene / 6 h / Heating

4: 5percent methanolic KOH / 2 h / Heating

5: conc. aq. HCl / methanol

With hydrogenchloride; potassium hydroxide; lithium tri(t-butoxy)aluminum hydride; In tetrahydrofuran; methanol; benzene;

DOI:10.1016/0039-128X(91)90115-C

upstream raw materials:

3α,7α,12α-Trihydroxy-5β-cholesten-24-26-saeure

2,2-dimethoxy-propane

3α,7α,12α-triformyloxy-5β-cholan-24-al

cholic acid triformate

Refernces