4-Nitroestrone 3-methyl ether

Base Information

Chemical Name:4-Nitroestrone 3-methyl ether
CAS No.:14846-62-9
Molecular Formula:C₁₉H₂₃NO₄
Molecular Weight:329.396
Hs Code.:
NSC Number:321803
UNII:G484L3U0O2
DSSTox Substance ID:DTXSID90163991
Nikkaji Number:J787.051E
NCI Thesaurus Code:C977
ChEMBL ID:CHEMBL43326
Mol file:14846-62-9.mol

Synonyms:4-nitroestrone 3-methyl ether

Suppliers and Price of 4-Nitroestrone 3-methyl ether

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
3-METHOXY-4-NITROESTRA-1,3,5(10)-TRIEN-17-ONE 95.00%
5MG
$ 505.43

Total 7 raw suppliers

Chemical Property of 4-Nitroestrone 3-methyl ether

Chemical Property:

Vapor Pressure:1.17E-09mmHg at 25°C
Melting Point:258-259 °C
Boiling Point:487.6°Cat760mmHg
Flash Point:197.3°C
PSA：72.12000
Density:1.221g/cm³
LogP:4.55180
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:329.16270821
Heavy Atom Count:24
Complexity:544

Purity/Quality:

98%min ^*data from raw suppliers

3-METHOXY-4-NITROESTRA-1,3,5(10)-TRIEN-17-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4[N+](=O)[O-])OC
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4[N+](=O)[O-])OC

Technology Process of 4-Nitroestrone 3-methyl ether

There total 5 articles about 4-Nitroestrone 3-methyl ether 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: 78.0%

: 14846-62-9
(13S)-3-methoxy-13-methyl-4-nitro-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one

: (13S)-3-methoxy-13-methyl-2-nitro-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one

Guidance literature:: With 2-nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide; at 55 - 60 ℃; for 3h; Overall yield = 91 percent; Inert atmosphere; Sealed tube;