4-Bromoestrone

Base Information

Chemical Name:4-Bromoestrone
CAS No.:1630-82-6
Molecular Formula:C₁₈H₂₁BrO₂
Molecular Weight:349.268
Hs Code.:
ChEMBL ID:CHEMBL1835538
DSSTox Substance ID:DTXSID001251096
Nikkaji Number:J2.420.378F
Mol file:1630-82-6.mol

Synonyms:4-bromoestrone;1630-82-6;CHEMBL1835538;(8R,9S,13S,14S)-4-bromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;4-bromo-3-hydroxyestra-1,3,5(10)-trien-17-one;SCHEMBL2929474;DTXSID001251096;BDBM50355366

Suppliers and Price of 4-Bromoestrone

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

TRC
4-Bromoestrone
10g
$ 720.00

Medical Isotopes, Inc.
4-Bromoestrone
5 g
$ 975.00

Total 4 raw suppliers

Chemical Property of 4-Bromoestrone

Chemical Property:

Melting Point:>172°C (dec.)
Storage Temp.:Refrigerator
Solubility.:Chloroform (Slightly), Ethyl Acetate (Slightly, Heated)
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:348.07249
Heavy Atom Count:21
Complexity:451

Purity/Quality:

99% ^*data from raw suppliers

4-Bromoestrone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4Br)O
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4Br)O
Uses 4-Bromoestrone is a brominated by-product from the reaction of estrogen derivatives with hypobromous acid.

Technology Process of 4-Bromoestrone

There total 11 articles about 4-Bromoestrone 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: 89.0%

: 53-16-7
Estrone

: 1630-82-6
4-bromo-3-hydroxyestra-1,3,5⁽¹⁰⁾-trien-17-one

Guidance literature:: With N-bromoacetamide; In ethanol; for 24h;
DOI:10.1016/j.bmc.2015.07.019

Reference yield: 72.0%

: 53-16-7
Estrone

: 1630-82-6
4-bromo-3-hydroxyestra-1,3,5⁽¹⁰⁾-trien-17-one

: 60788-62-7
2,4-dibromo-3-hydroxy-13β-estra-1,3,5(10)-trien-17-one

Guidance literature:: With N-Bromosuccinimide; In dichloromethane;
DOI:10.1080/14756366.2018.1490731

Reference yield: 70.0%

: 60788-62-7
2,4-dibromo-3-hydroxy-13β-estra-1,3,5(10)-trien-17-one

: 53-16-7
Estrone

: 1630-82-6
4-bromo-3-hydroxyestra-1,3,5⁽¹⁰⁾-trien-17-one

Guidance literature:: With formic acid; palladium on activated charcoal; In N,N-dimethyl-formamide; for 1.75h; Heating;
DOI:10.1016/S0040-4020(01)87092-7