Magnesium, bromo[4-(trifluoromethoxy)phenyl]-

Base Information

• Chemical Name: Magnesium, bromo[4-(trifluoromethoxy)phenyl]-
• CAS No.: 169222-42-8
• Molecular Formula: C7H4BrF3MgO
• Molecular Weight: 265.312
• European Community (EC) Number: 803-056-1
• Mol file: 169222-42-8.mol

Synonyms:169222-42-8;Magnesium, bromo[4-(trifluoromethoxy)phenyl]-;magnesium;trifluoromethoxybenzene;bromide;4-(Trifluoromethoxy)phenylmagnesium bromide;4-(Trifluoromethoxy)phenylmagnesium bromide;(4-(Trifluoromethoxy)phenyl)magnesium bromide, 0.50 M in 2-MeTHF;SCHEMBL513339;UFMHNMPAQCQXMW-UHFFFAOYSA-M;MFCD09842767;4-trifluormethoxyphenylmagnesium bromide;bromo[4-(trifluoromethoxy)phenyl]magnesium;bromo-[4-(trifluoromethoxy)phenyl]magnesium;4-(trifluoromethoxy) phenylmagnesium bromide;[4-(trifluoromethoxy)phenyl]magnesium bromide;(4-(Trifluoromethoxy)phenyl)magnesium bromide, 0.50 M in THF;4-(Trifluoromethoxy)phenylmagnesium bromide, 0.50 M in THF

Chemical Property of Magnesium, bromo[4-(trifluoromethoxy)phenyl]-

Chemical Property:

• Flash Point: -30?°C
• Density: 0.975 g/mL at 25 °C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 263.92480
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Trifluoromethoxy)phenylmagnesium bromide solution 0.5M in THF ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,C
• Statements: 11-14-19-34-40-37
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=[C-]1)OC(F)(F)F.[Mg+2].[Br-]
• Uses: Reactant for:Preparation of chromanol derivatives as novel class of CETP inhibitors for treatment of cardiovascular diseasePd-catalyzed cross couplingPreparation of indazole-pyridine derivatives as protein kinase B/Akt inhibitors with reduced hypotension, via Stille coupling, Mitsunobu reaction and copper-catalyzed aziridine ring-opening reaction

Technology Process of Magnesium, bromo[4-(trifluoromethoxy)phenyl]-

There total 3 articles about Magnesium, bromo[4-(trifluoromethoxy)phenyl]- 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: 94.0%

1-bromo-4-(trifluoromethoxy)benzene (407-14-7) → (4-(trifluoromethoxy)-phenyl)magnesium bromide (169222-42-8)

Guidance literature:

With magnesium; lithium chloride; In tetrahydrofuran; at 25 ℃; for 3h; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.201710931

Reference yield:

1-bromo-4-(trifluoromethoxy)benzene (407-14-7) + magnesium (7439-95-4) → (4-(trifluoromethoxy)-phenyl)magnesium bromide (169222-42-8)

Guidance literature:

With iodine; In tetrahydrofuran; for 1h; Reflux;

Reference yield:

1-trifluoromethoxybenzene (456-55-3) → (4-(trifluoromethoxy)-phenyl)magnesium bromide (169222-42-8)

Guidance literature:

Multi-step reaction with 2 steps

1: iron; bromine / 16 h / 100 °C

2: iodine / tetrahydrofuran / 1 h / Reflux

With bromine; iodine; iron; In tetrahydrofuran;

upstream raw materials:

1-bromo-4-(trifluoromethoxy)benzene

1-trifluoromethoxybenzene

magnesium

Downstream raw materials:

4-oxo-4-[4-(trifluoromethoxy)phenyl]butanoic acid

(5-bromo-2-chloro-phenyl)-[4-(trifluoromethoxy)phenyl]methanone

(5-bromo-2-chloro-phenyl)-[4-(trifluoromethoxy)phenyl]methanol

4-bromo-1-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]benzene

Refernces

• 1、 Benischke, Andreas D.,Desaintjean, Alexandre,Juli, Thomas,Cahiez, Gérard,Knochel, Paul. "Nickel-Catalyzed Cross-Coupling of Functionalized Organo manganese Reagents with Aryl and Heteroaryl Halides Promoted by 4-Fluorostyrene". supporting information. p. 5396 - 5412. Retrieved 2017/12/14.
• 2、 -. "Novel chromogenic substances and use thereof for the determination of carboxypeptidase activities". Page/Page column 27. . Retrieved 2008/06/13.