3beta,12alpha-Dihydroxychol-5-en-24-oic Acid

Base Information

Chemical Name:3beta,12alpha-Dihydroxychol-5-en-24-oic Acid
CAS No.:63266-92-2
Molecular Formula:C24H38O4
Molecular Weight:390.5561
Hs Code.:
DSSTox Substance ID:DTXSID60979324
Nikkaji Number:J457.328E
Wikidata:Q76294569
Metabolomics Workbench ID:36459

Synonyms:3 beta,12 alpha-dihydroxychol-5-enoic acid;3,12-DHCOA;3,12-dihydroxy-5-cholenoic acid;3,12-dihydroxychol-5-en-24-oic acid;3-beta,12-alpha-dihydroxy-5-cholen-24-oic acid

Suppliers and Price of 3beta,12alpha-Dihydroxychol-5-en-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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price

Total 1 raw suppliers

Chemical Property of 3beta,12alpha-Dihydroxychol-5-en-24-oic Acid

Chemical Property:

Vapor Pressure:7.35E-15mmHg at 25°C
Boiling Point:559.7°Cat760mmHg
Flash Point:306.4°C
PSA：77.76000
Density:1.16g/cm³
LogP:4.39800
XLogP3:4.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:390.27700969
Heavy Atom Count:28
Complexity:657

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC(=O)O)C1CCC2C1(C(CC3C2CC=C4C3(CCC(C4)O)C)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]2CC=C4[C@@]3(CC[C@@H](C4)O)C)O)C

Technology Process of 3beta,12alpha-Dihydroxychol-5-en-24-oic Acid

There total 14 articles about 3beta,12alpha-Dihydroxychol-5-en-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:

: 115375-41-2
methy 12α-acetoxy-3β-hydroxy-5-cholen-24-oate

: 63266-92-2
3β,12α-dihydroxy-5-cholen-24-oic acid

Guidance literature:: With lithium hydroxide; In methanol; for 8h; Heating;
DOI:10.1016/0039-128X(86)90019-X

Reference yield:

: 111659-96-2
methyl 12α-acetoxy-3-oxo-4-cholen-24-oate

: 63266-92-2
3β,12α-dihydroxy-5-cholen-24-oic acid

Guidance literature:: Multi-step reaction with 4 steps

1: KOtBu / 2-methyl-propan-2-ol / 1.5 h / Ambient temperature

2: HOAc

3: 1) NaBH₄ / 1) MeOH, r.t., 2) ether

4: 232 mg / 1 N LiOH / methanol / 8 h / Heating

With lithium hydroxide; sodium tetrahydroborate; potassium tert-butylate; acetic acid; In methanol; tert-butyl alcohol;
DOI:10.1016/0039-128X(86)90019-X

Reference yield:

: 2067-73-4
methyl 12α-acetoxy-4β-bromo-3-oxo-5β-cholan-24-oate

: 63266-92-2
3β,12α-dihydroxy-5-cholen-24-oic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 6.8 g / LiCl / dimethylformamide / 1.17 h / 100 °C

2: KOtBu / 2-methyl-propan-2-ol / 1.5 h / Ambient temperature

3: HOAc

4: 1) NaBH₄ / 1) MeOH, r.t., 2) ether

5: 232 mg / 1 N LiOH / methanol / 8 h / Heating

With lithium hydroxide; sodium tetrahydroborate; potassium tert-butylate; acetic acid; lithium chloride; In methanol; N,N-dimethyl-formamide; tert-butyl alcohol;
DOI:10.1016/0039-128X(86)90019-X