(3a,5b,7a,12a)-3-Amino-7,12-dihydroxycholan-24-oic acid methyl ester

Base Information

• Chemical Name: (3a,5b,7a,12a)-3-Amino-7,12-dihydroxycholan-24-oic acid methyl ester
• CAS No.: 142975-31-3
• Molecular Formula: C25H43NO4
• Molecular Weight: 421.621
• Mol file: 142975-31-3.mol

Synonyms:3a-Amino-7a,12a-dihydroxycholan-24-oic acid methyl ester;(3a,5b,7a,12a)-3-Amino-7,12-dihydroxycholan-24-oic acid methyl ester

Chemical Property of (3a,5b,7a,12a)-3-Amino-7,12-dihydroxycholan-24-oic acid methyl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.532
• Boiling Point: 530.896 °C at 760 mmHg
• PKA: 14.67±0.70(Predicted)
• Flash Point: 274.877 °C
• PSA: 92.78000
• Density: 1.107g/cm³
• LogP: 4.20380

Purity/Quality:

99% ^*data from raw suppliers

(3a,5b,7a,12a)-3-Amino-7,12-dihydroxycholan-24-oic acidmethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (3a,5b,7a,12a)-3-Amino-7,12-dihydroxycholan-24-oic acid methyl ester

There total 8 articles about (3a,5b,7a,12a)-3-Amino-7,12-dihydroxycholan-24-oic acid methyl 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: 91.0%

Methyl 3α-azido-7α,12α-dihydroxy-5β-cholan-24-oate (175340-05-3) → 3α-amino-7α,12α-dihydroxy-5β-cholan-24-oic acid methyl ester (142975-31-3)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; water; for 12h; Reflux;

DOI:10.1021/acs.inorgchem.8b03610

Reference yield:

methyl cholate (1448-36-8) → 3α-amino-7α,12α-dihydroxy-5β-cholan-24-oic acid methyl ester (142975-31-3)

Guidance literature:

Multi-step reaction with 3 steps

1: PPh₃; diisopropyl azodicarboxylate / tetrahydrofuran / 24 h / 40 - 50 °C

2: 4.59 g / NaN₃ / various solvent(s) / 9 h / 50 °C

3: 81 percent / PPh₃; water / tetrahydrofuran / 50 °C

With sodium azide; di-isopropyl azodicarboxylate; water; triphenylphosphine; In tetrahydrofuran;

DOI:10.1021/ja056151p

Reference yield:

methyl 3β-mesyloxycholate (175340-06-4) → 3α-amino-7α,12α-dihydroxy-5β-cholan-24-oic acid methyl ester (142975-31-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 4.59 g / NaN₃ / various solvent(s) / 9 h / 50 °C

2: 81 percent / PPh₃; water / tetrahydrofuran / 50 °C

With sodium azide; water; triphenylphosphine; In tetrahydrofuran;

DOI:10.1021/ja056151p

upstream raw materials:

3β,7α,12α-trihydroxy-5β-cholan-24-oic acid methyl ester

Methyl 3α-azido-7α,12α-dihydroxy-5β-cholan-24-oate

hydrogenchloride

methanol

Downstream raw materials:

C₆₂H₉₆N₆O₁₀

C₃₁H₄₅NO₅

C₃₂H₄₇NO₅

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