Magnesium;1,2-difluorobenzene-5-ide;bromide

Base Information

• Chemical Name: Magnesium;1,2-difluorobenzene-5-ide;bromide
• CAS No.: 90897-92-0
• Molecular Formula: C6H3BrF2Mg
• Molecular Weight: 217.296
• Hs Code.: 29319090
• DSSTox Substance ID: DTXSID00380894
• Mol file: 90897-92-0.mol

Synonyms:magnesium;1,2-difluorobenzene-5-ide;bromide;SCHEMBL667921;DTXSID00380894

Chemical Property of Magnesium;1,2-difluorobenzene-5-ide;bromide

Chemical Property:

• Appearance/Colour: UN 2924
• Boiling Point: 65 °C
• Flash Point: 1 °F
• PSA: 0.00000
• Density: 0.965 g/mL at 25 °C
• LogP: 2.61060
• Storage Temp.: 2-8°C
• Sensitive.: Air & Moisture Sensitive
• Water Solubility.: Reacts with water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 215.92366
• Heavy Atom Count: 10
• Complexity: 175

Purity/Quality:

96% 1H NMR ^*data from raw suppliers

3,4-Difluorophenylmagnesium bromide solution 0.5 M in THF ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F,C,Xn
• Statements: 11-14-19-22-34-40-36/37
• Safety Statements: 16-26-33-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=[C-]1)F)F.[Mg+2].[Br-]
• Uses: 3,4-Difluorophenylmagnesium bromide, 0.50 M in 2-MeTHF is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields. 3,4-Difluorophenylmagnesium bromide can be used:To prepare 3,4-difluorophenylboronic acid, a key building block employed in the synthesis of norepinephrine transporter selective molecules.In the synthesis of trimethoxybenzophenone derived tubulin polymerization inhibitors.In one of the key synthetic steps for the preparation of diarylketoxime derivatives as potent MCH-1R antagonists.In the synthesis of biologically important hydroxybupropion analogs useful in smoking cessation.

Technology Process of Magnesium;1,2-difluorobenzene-5-ide;bromide

There total 1 articles about Magnesium;1,2-difluorobenzene-5-ide;bromide 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:

1-bromo-3,4-difluorobenzene (348-61-8) → 3,4-difluorophenylmagnesium bromide (90897-92-0)

Guidance literature:

With iodine; magnesium; In tetrahydrofuran; at 20 ℃; Heating / reflux;

Reference yield: 93.0%

3,4-difluorophenylmagnesium bromide (90897-92-0) + tert-butyl (3aS,4R,7S,7aR)-2,2-dimethyl-6-oxotetrahydro-4,7-methano[1,3]dioxolo[4,5-c]pyridine-5(4H)-carboxylate (183272-49-3) → tert-butyl ((3aS,4R,6S,6aR)-6-(3,4-difluorobenzoyl)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)carbamate

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 0.166667h;

Reference yield: 92.0%

(5'R,10'R,13'S)-13'-methyl-1',2',6',7',8',12',13',14',15',16'-decahydro-17'H-spiro[1,3-dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-one (39931-88-9,116003-08-8,39931-87-8) + 3,4-difluorophenylmagnesium bromide (90897-92-0) → 11β-(3,4-difluorophenyl)-3,3-[1,2-ethanediylbis(oxy)]-5α-hydroxyestr-9-en-17-one (940932-52-5)

Guidance literature:

With copper(l) iodide; In tetrahydrofuran; at 0 ℃; for 0.5h;

DOI:10.1021/ol070447d

upstream raw materials:

1-bromo-3,4-difluorobenzene

Downstream raw materials:

3-(4-Chloro-phenyl)-2-cyano-3-(3,4-difluoro-phenyl)-propionic acid methyl ester

3-(3-Chloro-phenyl)-2-cyano-3-(3,4-difluoro-phenyl)-propionic acid methyl ester

2-Cyano-3,3-bis-(3,4-difluoro-phenyl)-propionic acid methyl ester

tert-butyl 4-(3,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylate

Refernces

• 1、 -. "TWO CYCLIC OXOMORPHORIN DERIVATIVES". Page/Page column 23. . Retrieved 2008/12/08.