3,7-Dihydroxycoprostanic acid

Base Information

Chemical Name:3,7-Dihydroxycoprostanic acid
CAS No.:17974-66-2
Molecular Formula:C27H46 O4
Molecular Weight:434.66
Hs Code.:
DSSTox Substance ID:DTXSID70939252
Mol file:17974-66-2.mol

Synonyms:3 alpha,7 alpha-dihydroxy-5 beta-cholestan-26-oic acid;3,7-DHCA;3,7-dihydroxycholestan-26-oic acid

Suppliers and Price of 3,7-Dihydroxycoprostanic 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

Medical Isotopes, Inc.
3α,7α-DihydroxycoprostanicAcid
1 mg
$ 290.00

ChemScene
3α,7α-Dihydroxycoprostanicacid
10mg
$ 850.00

ChemScene
3α,7α-Dihydroxycoprostanicacid
5mg
$ 500.00

Total 3 raw suppliers

Chemical Property of 3,7-Dihydroxycoprostanic acid

Chemical Property:

Vapor Pressure:1.42E-15mmHg at 25°C
Refractive Index:1.533
Boiling Point:574.2°Cat760mmHg
Flash Point:315.1°C
PSA：77.76000
Density:1.092g/cm³
LogP:5.50410
XLogP3:6.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:434.33960994
Heavy Atom Count:31
Complexity:664

Purity/Quality:

99% ^*data from raw suppliers

3α,7α-DihydroxycoprostanicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCCC(C)C(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
Isomeric SMILES:C[C@H](CCCC(C)C(=O)O)C1CCC2[C@@]1(CCC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Technology Process of 3,7-Dihydroxycoprostanic acid

There total 11 articles about 3,7-Dihydroxycoprostanic 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: 61.0%

: 264128-69-0
3α,7α-dihydroxy-25-carboxy-5β-cholestan-26-oic acid

: 17974-66-2
(25RS)-3α,7α-dihydroxy-5β-cholestan-26-oic acid

Guidance literature:: With lithium chloride; In dimethyl sulfoxide; at 160 ℃; for 1h;
DOI:10.1016/S0039-128X(99)00099-9

Reference yield:

: 6159-50-8,6058-15-7
3α,7α-diformyloxy-5β-cholan-24-oic acid

: 17974-66-2
(25RS)-3α,7α-dihydroxy-5β-cholestan-26-oic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 77 percent / BH₃*THF / tetrahydrofuran / 20 h / 20 °C

2: 94 percent / I₂; Ph₃P; imidazole / tetrahydrofuran / 4 h / 20 °C

3: 75 percent / NaH / tetrahydrofuran; dimethylsulfoxide / 3 h / 20 °C

4: 95 percent / KOH / ethanol / 3 h / Heating

5: 61 percent / aq. LiCl / dimethylsulfoxide / 1 h / 160 °C

With 1H-imidazole; potassium hydroxide; borane-THF; iodine; sodium hydride; triphenylphosphine; lithium chloride; In tetrahydrofuran; ethanol; dimethyl sulfoxide; 1: Reduction / 2: Iodination / 3: Substitution / 4: Deformylation; Hydrolysis / 5: Decarboxylation;
DOI:10.1016/S0039-128X(99)00099-9

Reference yield:

: 162518-66-3
3α,7α-diformyloxy-5β-24-hydroxy-cholane

: 17974-66-2
(25RS)-3α,7α-dihydroxy-5β-cholestan-26-oic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 94 percent / I₂; Ph₃P; imidazole / tetrahydrofuran / 4 h / 20 °C

2: 75 percent / NaH / tetrahydrofuran; dimethylsulfoxide / 3 h / 20 °C

3: 95 percent / KOH / ethanol / 3 h / Heating

4: 61 percent / aq. LiCl / dimethylsulfoxide / 1 h / 160 °C

With 1H-imidazole; potassium hydroxide; iodine; sodium hydride; triphenylphosphine; lithium chloride; In tetrahydrofuran; ethanol; dimethyl sulfoxide; 1: Iodination / 2: Substitution / 3: Deformylation; Hydrolysis / 4: Decarboxylation;
DOI:10.1016/S0039-128X(99)00099-9