3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime

Base Information

Chemical Name:3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime
CAS No.:40822-17-1
Molecular Formula:C19H23NO3
Molecular Weight:313.3908
Hs Code.:
NSC Number:60777
Mol file:40822-17-1.mol

Synonyms:3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime;40822-17-1;(8R,9S,13S,14S,16E)-16-hydroxyimino-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one;NSC60777;CHEBI:79597;NSC-60777;3-Methoxyestra-1,3,5(10)-trien-16-oximino-17-one

Suppliers and Price of 3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime

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 3 raw suppliers

Chemical Property of 3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:492.1°Cat760mmHg
Flash Point:251.4°C
Density:1.34g/cm³
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:313.16779360
Heavy Atom Count:23
Complexity:531

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CC(=NO)C2=O)CCC4=C3C=CC(=C4)OC
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1C/C(=N\O)/C2=O)CCC4=C3C=CC(=C4)OC

Technology Process of 3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime

There total 6 articles about 3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime 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: 21.0%

: 1624-62-0
estrone 3-methyl ether

: 110-46-3
isopentyl nitrite

: 40822-17-1
3-methoxyestra-1,3,5⁽¹⁰⁾-triene-16,17-dione 16-oxime

: isopentyl (2S)-1-(2-(hydroxyimino)ethyl)-7-methoxy-2-methyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2-carboxylate

: isopentyl (2S)-1-(2-(hydroxyimino)ethyl)-7-methoxy-2-methyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2-carboxylate

Guidance literature:: estrone 3-methyl ether; With sodium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.25h; Inert atmosphere; Schlenk technique;

isopentyl nitrite; In tetrahydrofuran; at -78 ℃; for 1.25h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.joc.1c01169

Reference yield:

: 1624-62-0
estrone 3-methyl ether

: 40822-17-1
3-methoxyestra-1,3,5⁽¹⁰⁾-triene-16,17-dione 16-oxime

Guidance literature:: With potassium tert-butylate; isopentyl nitrite; In tert-butyl alcohol;
DOI:10.1016/S0957-4166(03)00539-1

Reference yield:

: 1624-62-0
estrone 3-methyl ether

: 110-46-3
isopentyl nitrite

: 40822-17-1
3-methoxyestra-1,3,5⁽¹⁰⁾-triene-16,17-dione 16-oxime

Guidance literature:: With potassium tert-butylate; tert-butyl alcohol; at 30 ℃; und 20-stdg. Ruehren des Reaktiongemisches bei 30-50grad;
DOI:10.1039/jr9380001997