3alpha,7alpha,12alpha,19-Tetrahydroxy-5beta-cholan-24-oic Acid

Base Information

Chemical Name:3alpha,7alpha,12alpha,19-Tetrahydroxy-5beta-cholan-24-oic Acid
CAS No.:171524-64-4
Molecular Formula:C₂₄H₄₀O₆
Molecular Weight:424.578
Hs Code.:
DSSTox Substance ID:DTXSID001204114
Nikkaji Number:J688.938G
Wikidata:Q76294477
Metabolomics Workbench ID:36367
Mol file:171524-64-4.mol

Synonyms:3,7,12,19-tetrahydroxycholanoic acid;3,7,12,19-THCA;3alpha,7alpha,12alpha,19-tetrahydroxy-5beta-cholan-24-oic acid

Suppliers and Price of 3alpha,7alpha,12alpha,19-Tetrahydroxy-5beta-cholan-24-oic Acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 3alpha,7alpha,12alpha,19-Tetrahydroxy-5beta-cholan-24-oic Acid

Chemical Property:

Vapor Pressure:2.4E-18mmHg at 25°C
Boiling Point:626.9°C at 760 mmHg
Flash Point:346.9°C
PSA：0.00000
Density:1.236g/cm³
LogP:0.00000
XLogP3:2.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:424.28248899
Heavy Atom Count:30
Complexity:654

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)CO)O)O)C
Isomeric SMILES:C[C@H](CCC(=O)O)[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)CO)O)O)C

Technology Process of 3alpha,7alpha,12alpha,19-Tetrahydroxy-5beta-cholan-24-oic Acid

There total 8 articles about 3alpha,7alpha,12alpha,19-Tetrahydroxy-5beta-cholan-24-oic Acid 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: 70.0%

: 171524-62-2
methyl 3α,12α-diacetoxy-7α-hydroxy-19-trimethylacetoxy-5β-cholan-24-oate

: 171524-64-4
3α,7α,12α,19-tetrahydroxy-5β-cholan-24-oic acid

Guidance literature:: With potassium hydroxide; In methanol; for 12h; Heating;
DOI:10.1248/cpb.43.1551

Reference yield:

: 2309-11-7
methyl 3α,12α-diacetoxy-5β-chol-6-en-24-oate

: 171524-64-4
3α,7α,12α,19-tetrahydroxy-5β-cholan-24-oic acid

Guidance literature:: Multi-step reaction with 8 steps

1: 69 percent / N-bromoacetamide, 0.46M aq. HClO₄, / dioxane / 0.25 h / 4 °C

2: 91 percent / Pb(OAc)4, I₂, CaCO₃ / benzene; cyclohexane / 0.33 h / 80 °C / Irradiation

3: 70 percent / Zn, CH₃COOH / diethyl ether / 0.5 h / 100 °C

4: 82 percent / pyridine / 3 h

5: 94 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 4 h

6: 71 percent / HBr, CH₃COOH / CH₂Cl₂ / 2 h / Ambient temperature

7: 88 percent / Raney-Ni, EtOH, CH₃COOH / 0.17 h / Heating

8: 70 percent / KOH / methanol / 12 h / Heating

With pyridine; lead(IV) acetate; potassium hydroxide; perchloric acid; ethanol; hydrogen bromide; iodine; nickel; acetic acid; 3-chloro-benzenecarboperoxoic acid; calcium carbonate; zinc; N-bromoacetamide; In 1,4-dioxane; methanol; diethyl ether; dichloromethane; cyclohexane; benzene;
DOI:10.1248/cpb.43.1551

Reference yield:

: 171524-46-2
methyl 3α,12α-diacetoxy-7α-bromo-6β-hydroxy-5β-cholan-24-oate

: 171524-64-4
3α,7α,12α,19-tetrahydroxy-5β-cholan-24-oic acid

Guidance literature:: Multi-step reaction with 7 steps

1: 91 percent / Pb(OAc)4, I₂, CaCO₃ / benzene; cyclohexane / 0.33 h / 80 °C / Irradiation

2: 70 percent / Zn, CH₃COOH / diethyl ether / 0.5 h / 100 °C

3: 82 percent / pyridine / 3 h

4: 94 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 4 h

5: 71 percent / HBr, CH₃COOH / CH₂Cl₂ / 2 h / Ambient temperature

6: 88 percent / Raney-Ni, EtOH, CH₃COOH / 0.17 h / Heating

7: 70 percent / KOH / methanol / 12 h / Heating

With pyridine; lead(IV) acetate; potassium hydroxide; ethanol; hydrogen bromide; iodine; nickel; acetic acid; 3-chloro-benzenecarboperoxoic acid; calcium carbonate; zinc; In methanol; diethyl ether; dichloromethane; cyclohexane; benzene;
DOI:10.1248/cpb.43.1551