2,4-Dibromo-16a-hydroxyestrone

Base Information

• Chemical Name: 2,4-Dibromo-16a-hydroxyestrone
• CAS No.: 79258-14-3
• Molecular Formula: C18H20 Br2 O3
• Molecular Weight: 444.163
• Mol file: 79258-14-3.mol

Synonyms:2,4-Dibromo-16a-hydroxyestrone;2,4-Dibromo-3,16a-dihydroxyestra-1,3,5(10)-trien-17-one (16a)-2,4-Dibromo-3,16-dihydroxyestra-1,3,5(10)-trien-17-one

Chemical Property of 2,4-Dibromo-16a-hydroxyestrone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.647
• Boiling Point: 495.574°C at 760 mmHg
• Flash Point: 253.514°C
• PSA: 57.53000
• Density: 1.698g/cm³
• LogP: 4.31320
• Solubility.: Chloroform, Ethyl Acetate, Methanol

Purity/Quality:

99%min ^*data from raw suppliers

2,4-Dibromo-16α-hydroxyEstrone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Metabolite of 2,4-Dibromoestrone (2,4-DB-estrone).

Technology Process of 2,4-Dibromo-16a-hydroxyestrone

There total 2 articles about 2,4-Dibromo-16a-hydroxyestrone 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: 97.0%

2,4,16α-tribromo-3-hydroxyestra-1,3,5(10)-trien-17-one (79258-15-4) → 2,4-dibromo-3,16α-dihydroxyestra-1,3,5(19)-trien-17-one (79258-14-3)

Guidance literature:

With pyridine; sodium hydroxide; for 3h; Ambient temperature;

DOI:10.1039/c39810000383

Reference yield:

Estrone (53-16-7) → 2,4-dibromo-3,16α-dihydroxyestra-1,3,5(19)-trien-17-one (79258-14-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / CuBr₂ / methanol / 48 h / Heating

2: 97 percent / NaOH, 75percent aq. pyridine / 3 h / Ambient temperature

With pyridine; sodium hydroxide; copper(ll) bromide; In methanol;

DOI:10.1039/c39810000383

Reference yield: 96.0%

2,4-dibromo-3,16α-dihydroxyestra-1,3,5(19)-trien-17-one (79258-14-3) → Estriol (50-27-1,300853-07-0)

Guidance literature:

With sodium tetrahydroborate; palladium dichloride; In methanol; at 0 ℃; for 2h;

upstream raw materials:

2,4,16α-tribromo-3-hydroxyestra-1,3,5(10)-trien-17-one

Estrone

Downstream raw materials:

2,4-dibromo-17,17-ethylenedioxy-1,3,5(10)-estratriene-3,16α-diol

Estriol

sodium 3,17β-dihydroxyestra-1,3,5(10)-trien-16α-yl-β-D-glucopyranosuronate

Refernces

• 1、 Numazawa, Mitsuteru,Nagaoka, Masao,Tsuji, Masachika,Osawa, Yoshio. "Efficient Synthesis of Estriol 16-Glucuronide via 2,4,16α-Tribromoestrone". . p. 383 - 384. Retrieved 2007/10/02.