2,3-Secocholestan-2,3-dioic acid

Base Information

Chemical Name:2,3-Secocholestan-2,3-dioic acid
CAS No.:1178-00-3
Molecular Formula:C₂₇H₄₆O₄
Molecular Weight:434.66
Hs Code.:
DSSTox Substance ID:DTXSID30922549
Mol file:1178-00-3.mol

Synonyms:2,3-seco-5 alpha-cholestan-2,3-dioic acid;2,3-secocholestan-2,3-dioic acid;seco-CDA

Suppliers and Price of 2,3-Secocholestan-2,3-dioic 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 7 raw suppliers

Chemical Property of 2,3-Secocholestan-2,3-dioic acid

Chemical Property:

Vapor Pressure:1.38E-12mmHg at 25°C
Boiling Point:528.6°C at 760 mmHg
Flash Point:164.1°C
PSA：63.60000
Density:1.005g/cm³
LogP:6.57150
XLogP3:8.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:434.33960994
Heavy Atom Count:31
Complexity:629

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC(C3CC(=O)OC)CC(=O)O)C
Isomeric SMILES:CC(C)CCCC(C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]([C@@H]3CC(=O)OC)CC(=O)O)C
General Description 2,3-Secocholestan-2,3-dioic acid is a derivative of cholestane in which the C2-C3 bond has been cleaved (seco) and the resulting fragments are oxidized to carboxylic acids at positions 2 and 3. It exists in stereoisomeric forms, such as the 5α- and 5β-configurations, as indicated by the alternative names 2,3-seco-5α-cholestane-2,3-dioic acid and (5β)-2,3-secocholestane-2,3-dioic acid. 2,3-secocholestan-2,3-dioic acid is of interest in steroid chemistry as a potential intermediate or metabolite in the degradation or modification of steroidal structures. Its seco-dioic acid structure suggests reactivity typical of dicarboxylic acids, possibly enabling further chemical transformations or biological interactions.

Technology Process of 2,3-Secocholestan-2,3-dioic acid

There total 37 articles about 2,3-Secocholestan-2,3-dioic 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: 82.0%

: 16126-32-2,10146-89-1,16126-30-0,16991-05-2,20312-09-8,25494-76-2,57377-69-2,111822-10-7
(2β-3α-5α)-cholestane-2,3-diol

: 1178-00-3
2,3-seco-5α-cholestane-2,3-dicarboxylic acid

Guidance literature:: With oxygen; sodium methylate; silver trifluoromethanesulfonate; In tetrahydrofuran; methanol; at 37 ℃; for 12h;
DOI:10.1002/anie.201711531