2-Bromophenanthrene-9,10-dione

Base Information

• Chemical Name: 2-Bromophenanthrene-9,10-dione
• CAS No.: 53622-33-6
• Molecular Formula: C14H7BrO2
• Molecular Weight: 287.112
• Hs Code.: 2914700090
• ChEMBL ID: CHEMBL52491
• DSSTox Substance ID: DTXSID70506620
• Nikkaji Number: J1.562.939H
• Pharos Ligand ID: QLLRQ4MFJ48Q
• Wikidata: Q72449003
• Mol file: 53622-33-6.mol

Synonyms:2-Bromophenanthrene-9,10-dione;53622-33-6;2-BroMo-9,10-phenanthrenequinone;CHEMBL52491;2-Bromo-9,10-phenanthrenedione;9,10-Phenanthrenedione, 2-bromo-;SCHEMBL6259656;DTXSID70506620;2-Bromo-phenanthrene-9,10-dione;BDBM50099772;2-bromo-9,10-dihydrophenanthrene-9,10-dione;EN300-6481281;A852722;Z3241252619

Chemical Property of 2-Bromophenanthrene-9,10-dione

Chemical Property:

• Melting Point: 237-238 oC (acetone )**
• PSA: 34.14000
• Density: 1.638±0.06 g/cm3 (20 oC 760 Torr), Calc.*
• LogP: 3.49510
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 285.96294
• Heavy Atom Count: 17
• Complexity: 352

Purity/Quality:

99% ^*data from raw suppliers

2-Bromophenanthrene-9,10-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)Br)C(=O)C2=O

Technology Process of 2-Bromophenanthrene-9,10-dione

There total 7 articles about 2-Bromophenanthrene-9,10-dione 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: 61.0%

5-bromo-2-phenylcinnamaldehyde → 2-bromo-phenanthrene-9,10-dione (53622-33-6)

Guidance literature:

With copper; Selectfluor; In acetonitrile; at 0 ℃; for 30h; Temperature;

Reference yield: 44.0%

9,10-phenanthrenequinone (84-11-7) → 2-bromo-phenanthrene-9,10-dione (53622-33-6)

Guidance literature:

9,10-phenanthrenequinone; With methanesulfonic acid; for 0.5h;

With N-Bromosuccinimide;

Reference yield: 25.0%

C21H14BrClO → 2-bromo-phenanthrene-9,10-dione (53622-33-6)

Guidance literature:

With copper; Selectfluor; In water; acetonitrile; at 25 ℃; for 12h;

DOI:10.1021/acs.joc.6b02212

upstream raw materials:

9,10-phenanthrenequinone

water

bromine

4-Bromophenylboronic acid

Downstream raw materials:

2-bromofluoren-9-one

2,7-dibromo-phenanthrene-9,10-dione

2-bromo-7-nitro-fluoren-9-one oxime

2-bromo-7-nitro-9H-fluoren-9-one

Refernces

• 1、 -. "Synthesis method of 9,10-phenanthrenequinone compound". Paragraph 0062-0067; 0092. . Retrieved 2018/04/02.
• 2、 -. "Cd45 inhibitors". . . Retrieved 2008/06/13.