Osaterone

Base Information

Chemical Name:Osaterone
CAS No.:105149-04-0
Molecular Formula:C₂₀H₂₅ClO₄
Molecular Weight:364.869
Hs Code.:
UNII:XPI95TLO4O
DSSTox Substance ID:DTXSID40883157
Nikkaji Number:J475.098E
Wikipedia:Osaterone
Wikidata:Q2032552
NCI Thesaurus Code:C90661
Metabolomics Workbench ID:155846
ChEMBL ID:CHEMBL2106982
Mol file:105149-04-0.mol

Synonyms:Osaterone;105149-04-0;Osaterone [INN];UNII-XPI95TLO4O;XPI95TLO4O;(+)-6-Chloro-17-hydroxy-2-oxapregna-4,6-diene-3,20-dione;( )-6-Chloro-17-hydroxy-2-oxapregna-4,6-diene-3,20-dione;OSATERONE [MI];SCHEMBL62024;C20H25ClO4;(1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-1-hydroxy-9a,11a-dimethyl-2,3,3a,3b,9,9b,10,11-octahydroindeno[4,5-h]isochromen-7-one;CHEMBL2106982;C20-H25-Cl-O4;DTXSID40883157;ZLLOIFNEEWYATC-XMUHMHRVSA-N;TZP-5258;AKOS040753392;Q2032552;6-Chloro-17-hydroxy-2-oxapregna-4,6-diene-3,20-dione;6-chloro-17alpha-hydroxy-2-oxapregna-4,6-diene-3,20-dione

Suppliers and Price of Osaterone

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

American Custom Chemicals Corporation
OSATERONE 95.00%
5MG
$ 503.72

Total 1 raw suppliers

Chemical Property of Osaterone

Chemical Property:

Vapor Pressure:9.86E-14mmHg at 25°C
Melting Point:218-221°
Boiling Point:536.1°Cat760mmHg
Flash Point:278.1°C
PSA：63.60000
Density:1.3g/cm³
LogP:3.37480
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:364.1441370
Heavy Atom Count:25
Complexity:725

Purity/Quality:: OSATERONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)OCC34C)Cl)C)O
Isomeric SMILES:CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)OC[C@]34C)Cl)C)O

Technology Process of Osaterone

There total 9 articles about Osaterone 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: 67.3%

: 105149-00-6
2-oxachlormadinone acetate

: 105149-04-0
2-oxachlormadinone

Guidance literature:: With sodium methylate; In tetrahydrofuran; methanol; at 70 ℃; for 0.166667h;
DOI:10.1248/cpb.40.935

Reference yield:

: 2668-75-9
3,20-dioxopregna-1,4,6-trien-17α-yl acetate

: 105149-04-0
2-oxachlormadinone

Guidance literature:: Multi-step reaction with 7 steps

1: 69.7 percent / m-CPBA / CHCl₃ / 20 h / Ambient temperature

2: 84.6 percent / O₃, pyridine / 1.) -30 deg C, 1.5 h, 2.) RT, 30 min

3: 85.2 percent / aq. AcONa, NaOH, PhOH / methanol; tetrahydrofuran / 0.5 h / Ambient temperature

4: conc. aq. HCl / methanol; tetrahydrofuran / 0.42 h / Ambient temperature

5: 77 percent / pyridine / 18 h / Ambient temperature

6: 84 percent / AcOK / dimethylformamide / 5 h / 70 °C

7: 67.3 percent / MeONa / methanol; tetrahydrofuran / 0.17 h / 70 °C

With pyridine; hydrogenchloride; sodium hydroxide; sodium methylate; potassium acetate; sodium acetate; ozone; 3-chloro-benzenecarboperoxoic acid; phenol; In tetrahydrofuran; methanol; chloroform; N,N-dimethyl-formamide;
DOI:10.1248/cpb.40.935

Reference yield:

: 105162-13-8
17-acetoxy-6α,7α-epoxy-2-oxapregn-4-ene-3,20-dione

: 105149-04-0
2-oxachlormadinone

Guidance literature:: Multi-step reaction with 4 steps

1: conc. aq. HCl / methanol; tetrahydrofuran / 0.42 h / Ambient temperature

2: 77 percent / pyridine / 18 h / Ambient temperature

3: 84 percent / AcOK / dimethylformamide / 5 h / 70 °C

4: 67.3 percent / MeONa / methanol; tetrahydrofuran / 0.17 h / 70 °C

With pyridine; hydrogenchloride; sodium methylate; potassium acetate; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;
DOI:10.1248/cpb.40.935