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Pregnanetriolone

Base Information Edit
  • Chemical Name:Pregnanetriolone
  • CAS No.:603-99-6
  • Deprecated CAS:82597-52-2
  • Molecular Formula:C21H34 O4
  • Molecular Weight:350.49
  • Hs Code.:
  • NSC Number:79097
  • UNII:9K506VY344
  • DSSTox Substance ID:DTXSID001316846
  • Nikkaji Number:J39.481E
  • Wikipedia:Pregnanetriolone
  • Wikidata:Q27149010
  • Metabolomics Workbench ID:49681
  • Mol file:603-99-6.mol
Pregnanetriolone

Synonyms:11-keto-pregnanetriol;3 alpha,17 alpha,20 alpha-trihydroxy-5 beta-pregnan-11-one;pregnanetriolone

Suppliers and Price of Pregnanetriolone
Supply Marketing:Edit
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.
  • Pregnanetriolone
  • 1 mg
  • $ 725.00
  • American Custom Chemicals Corporation
  • PREGNANETRIOLONE 95.00%
  • 5MG
  • $ 459.91
Total 6 raw suppliers
Chemical Property of Pregnanetriolone Edit
Chemical Property:
  • Vapor Pressure:2.02E-12mmHg at 25°C 
  • Boiling Point:507.4°C at 760 mmHg 
  • Flash Point:274.8°C 
  • PSA:77.76000 
  • Density:1.183g/cm3 
  • LogP:2.68090 
  • XLogP3:2.3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:1
  • Exact Mass:350.24570956
  • Heavy Atom Count:25
  • Complexity:576
Purity/Quality:

98%min *data from raw suppliers

Pregnanetriolone *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(C1(CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C)O)O
  • Isomeric SMILES:C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O)O
Technology Process of Pregnanetriolone

There total 25 articles about Pregnanetriolone 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:
Guidance literature:
Multi-step reaction with 10 steps
1: 81.3 percent / pyridine / 18.5 h
2: 83.8 percent / pyridinium chlorochromate / CH2Cl2 / 2 h
3: 10 percent / trimethyl orthoformate, O2, toluene-p-sulphonic acid / dioxane
4: 39.8 percent / ethanol / 2.5 h / Irradiation
5: 75 percent / H2 / Pd-CaCO3 / pyridine
6: 28.5 mg / potassium hydrogen carbonate, H2O / ethanol / 1 h / Heating
7: 28 mg / HCl / 18 h / Ambient temperature
8: POCl3-pyridine
9: 60percent acetic acid / 91 h / Ambient temperature
10: 1 mg / H2 / Pd-C / dioxane / 6 h
With pyridine; hydrogenchloride; water; hydrogen; oxygen; potassium hydrogencarbonate; toluene-4-sulfonic acid; acetic acid; pyridinium chlorochromate; trichlorophosphate; trimethyl orthoformate; palladium on activated charcoal; Lindlar's catalyst; In 1,4-dioxane; pyridine; ethanol; dichloromethane;
Guidance literature:
Multi-step reaction with 9 steps
1: 83.8 percent / pyridinium chlorochromate / CH2Cl2 / 2 h
2: 10 percent / trimethyl orthoformate, O2, toluene-p-sulphonic acid / dioxane
3: 39.8 percent / ethanol / 2.5 h / Irradiation
4: 75 percent / H2 / Pd-CaCO3 / pyridine
5: 28.5 mg / potassium hydrogen carbonate, H2O / ethanol / 1 h / Heating
6: 28 mg / HCl / 18 h / Ambient temperature
7: POCl3-pyridine
8: 60percent acetic acid / 91 h / Ambient temperature
9: 1 mg / H2 / Pd-C / dioxane / 6 h
With pyridine; hydrogenchloride; water; hydrogen; oxygen; potassium hydrogencarbonate; toluene-4-sulfonic acid; acetic acid; pyridinium chlorochromate; trichlorophosphate; trimethyl orthoformate; palladium on activated charcoal; Lindlar's catalyst; In 1,4-dioxane; pyridine; ethanol; dichloromethane;
Guidance literature:
Multi-step reaction with 9 steps
1: pyridine
2: 10 percent / trimethyl orthoformate, O2, toluene-p-sulphonic acid / dioxane
3: 39.8 percent / ethanol / 2.5 h / Irradiation
4: 75 percent / H2 / Pd-CaCO3 / pyridine
5: 28.5 mg / potassium hydrogen carbonate, H2O / ethanol / 1 h / Heating
6: 28 mg / HCl / 18 h / Ambient temperature
7: POCl3-pyridine
8: 60percent acetic acid / 91 h / Ambient temperature
9: 1 mg / H2 / Pd-C / dioxane / 6 h
With pyridine; hydrogenchloride; water; hydrogen; oxygen; potassium hydrogencarbonate; toluene-4-sulfonic acid; acetic acid; trichlorophosphate; trimethyl orthoformate; palladium on activated charcoal; Lindlar's catalyst; In 1,4-dioxane; pyridine; ethanol;
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