4-Nitroestra-1,3,5(10)-triene-3,17beta-diol

Base Information

Chemical Name:4-Nitroestra-1,3,5(10)-triene-3,17beta-diol
CAS No.:6936-94-3
Molecular Formula:C18H23NO4
Molecular Weight:317.3795
Hs Code.:
NSC Number:39822,32055
Nikkaji Number:J787.050G
Wikidata:Q27148599
ChEMBL ID:CHEMBL1627935

Synonyms:4-Nitroestradiol;4-Nitroestra-1,3,5(10)-triene-3,17beta-diol;6936-94-3;CHEMBL1627935;CHEBI:79512;(8R,9S,13S,14S,17S)-13-Methyl-4-nitro-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol;SCHEMBL11250984;NSC32055;NSC39822;BDBM50355369;NSC-32055;NSC-39822;Q27148599

Suppliers and Price of 4-Nitroestra-1,3,5(10)-triene-3,17beta-diol

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 4 raw suppliers

Chemical Property of 4-Nitroestra-1,3,5(10)-triene-3,17beta-diol

Chemical Property:

Vapor Pressure:2.1E-09mmHg at 25°C
Boiling Point:463.9°Cat760mmHg
Flash Point:187°C
Density:1.298g/cm³
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:317.16270821
Heavy Atom Count:23
Complexity:492

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4[N+](=O)[O-])O
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4[N+](=O)[O-])O

Technology Process of 4-Nitroestra-1,3,5(10)-triene-3,17beta-diol

There total 7 articles about 4-Nitroestra-1,3,5(10)-triene-3,17beta-diol 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: 75.0%

: 50-28-2
estradiol

: 6936-94-3
4-Nitroestratriene-3,17beta-diol

Guidance literature:: With bismuth nitrate pentahydrate montmorillonite KSF clay; In dichloromethane; Reagent/catalyst; Dean-Stark;
DOI:10.1016/j.ejmech.2014.06.010

Reference yield: 48.0%

: 50-28-2
estradiol

: 6936-94-3
4-Nitroestratriene-3,17beta-diol

: 6298-51-7
2-Nitroestratriene-3,17beta-diol

Guidance literature:: With bismuth nitrate pentahydrate montmorillonite KSF clay; In benzene; for 2h; Reagent/catalyst; Overall yield = 95 %; Reflux;
DOI:10.1016/j.ejmech.2014.06.010

Reference yield: 10.0%

: 50-28-2
estradiol

: 6936-94-3
4-Nitroestratriene-3,17beta-diol

: 6298-51-7
2-Nitroestratriene-3,17beta-diol

: 20823-11-4
2,4-dinitro-17β-estradiol

Guidance literature:: With phosphate buffer; dihydrogen peroxide; sodium nitrite; horseradish peroxidase EC 1.11.1.7; In methanol; water; at 20 ℃; for 1h; pH=7.4; Further Variations:; Reagents; Product distribution;
DOI:10.1016/j.bmc.2004.03.036