4-Fluoro-2-methylphenylmagnesium bromide

Base Information

• Chemical Name: 4-Fluoro-2-methylphenylmagnesium bromide
• CAS No.: 30897-90-6
• Molecular Formula: C7H6BrFMg
• Molecular Weight: 213.332
• Hs Code.: 29310099
• European Community (EC) Number: 608-550-9
• Mol file: 30897-90-6.mol

Synonyms:30897-90-6;4-FLUORO-2-METHYLPHENYLMAGNESIUM BROMIDE;magnesium;1-fluoro-3-methylbenzene-4-ide;bromide;(4-fluoro-2-methylphenyl)magnesium bromide;Magnesium, bromo(4-fluoro-2-methylphenyl)-;MFCD01311469;SCHEMBL165158;SWSQUPDDGGYHLR-UHFFFAOYSA-M;AKOS015916387;4-fluoro-2-methylphenyl magnesium bromide;4-fluoro-2-methyl-phenyl magnesium bromide;magnesium,1-fluoro-3-methylbenzene-4-ide,bromide;4-Fluoro-2-methylphenylmagnesium bromide, 0.50 M in 2-MeTHF;4-Fluoro-2-methylphenylmagnesium bromide 0.5 M in Tetrahydrofuran

Chemical Property of 4-Fluoro-2-methylphenylmagnesium bromide

Chemical Property:

• Vapor Pressure: 20.1mmHg at 25°C
• Boiling Point: 65 °C
• Flash Point: 1 °F
• PSA: 0.00000
• Density: 0.958 g/mL at 25 °C
• LogP: 2.77990
• Storage Temp.: 2-8°C
• Sensitive.: Air & Moisture Sensitive
• Solubility.: Soluble in 0.5 M in Tetrahydrofuran.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 211.94873
• Heavy Atom Count: 10
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-2-methylphenylmagnesium bromide solution 0.5M in THF ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F;C
• Hazard Codes: F,C,Xn
• Statements: 11-14/15-19-34-40-36/37
• Safety Statements: 16-26-33-36/37/39-43-45-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=[C-]C=CC(=C1)F.[Mg+2].[Br-]
• Uses: It is an important raw material and intermediate used in organic synthesis, Pharmaceuticals, agrochemicals and dyestuffs.

Technology Process of 4-Fluoro-2-methylphenylmagnesium bromide

There total 1 articles about 4-Fluoro-2-methylphenylmagnesium 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:

2-Bromo-5-fluorotoluene (452-63-1) → (2-methyl-4-fluorophenyl)magnesium bromide (30897-90-6)

Guidance literature:

With iodine; magnesium; magnesium bromide; In tetrahydrofuran; for 1h; Reflux; Inert atmosphere;

DOI:10.1016/j.ejmech.2012.07.021

Reference yield: 94.0%

3-chloro-N,6-dimethoxy-N-methylbenzo[b]thiophene-2-carboxamide + (2-methyl-4-fluorophenyl)magnesium bromide (30897-90-6) → (3-chloro-6-methoxybenzo[b]thiophen-2-yl)(4-fluoro-2- methylphenyl)methanone

Guidance literature:

In tetrahydrofuran; Inert atmosphere;

Reference yield: 85.0%

2,3-dihydro-2H-furan (1191-99-7,75454-45-4) + (2-methyl-4-fluorophenyl)magnesium bromide (30897-90-6) → (Z)-4-(4-fluoro-2-methylphenyl)but-3-en-1-ol (1492833-84-7)

Guidance literature:

2,3-dihydro-2H-furan; With bis(1,5-cyclooctadiene)nickel⁽⁰⁾; C₂₇H₃₉N₂⁽¹⁺⁾*Cl^(1-)*ClH; lithium chloride; In tetrahydrofuran; at -30 ℃; for 0.0333333h; Inert atmosphere;

(4-fluoro-2-methylphenylmagnesium bromide); In tetrahydrofuran; at -30 ℃; for 16h; stereoselective reaction; Inert atmosphere;

DOI:10.1021/ol4031815

upstream raw materials:

2-Bromo-5-fluorotoluene

Downstream raw materials:

4-(p-fluoro-o-tolyl)-4-hydroxycyclohexanone

C₁₁H₁₅FO

4-(4-Fluoro-2-methyl-phenyl)-cyclohex-3-enol

Methanesulfonic acid 4-(4-fluoro-2-methyl-phenyl)-cyclohex-3-enyl ester

Refernces

• 1、 Hayashi, Shigeo,Ohashi, Katsuyo,Nakata, Eriko,Emoto, Chie. "Discovery of 1-(β-amino substituted-β-alanyl)-N,N- dimethylindoline-2-carboxamides as novel nonpeptide antagonists of nociceptin/orphanin FQ receptor: Efficient design, synthesis, and structure-activity relationship studies". . p. 228 - 242. Retrieved 2012/11/07.