12a-Hydroxy-3-oxocholadienic acid

Base Information

Chemical Name:12a-Hydroxy-3-oxocholadienic acid
CAS No.:13535-96-1
Molecular Formula:C24H34 O4
Molecular Weight:386.532
Hs Code.:
Mol file:13535-96-1.mol

Synonyms:12a-Hydroxy-3-oxocholadienic acid;12a-Hydroxy-3-oxocholadienate;CHEBI:172621;12a-Hydroxy-3-oxochola-4,6-dienate;12a-hydroxy-3-oxo-Chola-4,6-dienate;12a-Hydroxy-3-oxochola-4,6-dienic acid;12a-hydroxy-3-oxo-Chola-4,6-dienic acid;12a-Hydroxy-3-oxo-4,6-choladien-24-oate;12a-hydroxy-3-oxo-4,6-choladien-24-oic acid;(4R)-4-[(10R,12S,13R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

Suppliers and Price of 12a-Hydroxy-3-oxocholadienic 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
Packaging
price

Total 12 raw suppliers

Chemical Property of 12a-Hydroxy-3-oxocholadienic acid

Chemical Property:

Vapor Pressure:3.17E-15mmHg at 25°C
Melting Point:252-254 °C(Solv: ethanol (64-17-5))
Boiling Point:580.4°Cat760mmHg
PKA:4.76±0.10(Predicted)
Flash Point:318.9°C
PSA：74.60000
Density:1.18g/cm³
LogP:4.38220
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:386.24570956
Heavy Atom Count:28
Complexity:737

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC(=O)O)C1CCC2C1(C(CC3C2C=CC4=CC(=O)CCC34C)O)C
Isomeric SMILES:C[C@H](CCC(=O)O)C1CCC2[C@@]1([C@H](CC3C2C=CC4=CC(=O)CC[C@]34C)O)C

Technology Process of 12a-Hydroxy-3-oxocholadienic acid

There total 10 articles about 12a-Hydroxy-3-oxocholadienic 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: 78.0%

: 88674-57-1
12α-formyloxy-3-oxochola-4,6-dien-24-oic acid

: 13535-96-1
3-oxo-12α-hydroxy-4,6-choladien-24-oic acid

Guidance literature:: With sodium hydroxide; Heating;
DOI:10.1016/0039-128X(83)90087-9

Reference yield:

: 88674-52-6
3-oxo-7α,12α-diformoxy-5β-cholan-24-oic acid

: 13535-96-1
3-oxo-12α-hydroxy-4,6-choladien-24-oic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 93 percent / Br₂ / acetic acid / Ambient temperature

2: 58 percent / Li₂CO₃, LiBr / dimethylformamide / 6 h / 120 °C

3: 78 percent / 0.2 N NaOH / Heating

With sodium hydroxide; bromine; lithium carbonate; lithium bromide; In acetic acid; N,N-dimethyl-formamide;
DOI:10.1016/0039-128X(83)90087-9

Reference yield:

: 2097-89-4
cholic acid triformate

: 13535-96-1
3-oxo-12α-hydroxy-4,6-choladien-24-oic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 0.2 N NaOH / acetone / Ambient temperature

2: 92 percent / CrO₃, H₂SO₄ / acetone / 0 °C

3: 93 percent / Br₂ / acetic acid / Ambient temperature

4: 58 percent / Li₂CO₃, LiBr / dimethylformamide / 6 h / 120 °C

5: 78 percent / 0.2 N NaOH / Heating

With chromium(VI) oxide; sodium hydroxide; sulfuric acid; bromine; lithium carbonate; lithium bromide; In acetic acid; N,N-dimethyl-formamide; acetone;
DOI:10.1016/0039-128X(83)90087-9