Magnesium bromide 4-fluoro-3-methylbenzen-1-ide (1/1/1)

Base Information

• Chemical Name: Magnesium bromide 4-fluoro-3-methylbenzen-1-ide (1/1/1)
• CAS No.: 82297-89-0
• Molecular Formula: C7H6BrFMg
• Molecular Weight: 213.332
• Hs Code.: 29319090
• DSSTox Substance ID: DTXSID60380799
• Mol file: 82297-89-0.mol

Synonyms:Magnesium bromide 4-fluoro-3-methylbenzen-1-ide (1/1/1);magnesium;1-fluoro-2-methylbenzene-4-ide;bromide;DTXSID60380799

Chemical Property of Magnesium bromide 4-fluoro-3-methylbenzen-1-ide (1/1/1)

Chemical Property:

• Vapor Pressure: 21.8mmHg at 25°C
• Boiling Point: 116.3°C at 760 mmHg
• Flash Point: −15 °F
• PSA: 0.00000
• Density: 1.001 g/mL at 25 °C
• LogP: 2.77990
• Sensitive.: Air & Moisture Sensitive
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 211.94873
• Heavy Atom Count: 10
• Complexity: 173

Purity/Quality:

97% ^*data from raw suppliers

4-Fluoro-3-methylphenylmagnesium bromide solution 1.0 M in THF ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F;C
• Hazard Codes: F,C
• Statements: 11-14-19-20/21/22-34-40-37-17
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C[C-]=C1)F.[Mg+2].[Br-]

Technology Process of Magnesium bromide 4-fluoro-3-methylbenzen-1-ide (1/1/1)

There total 1 articles about Magnesium bromide 4-fluoro-3-methylbenzen-1-ide (1/1/1) 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:

5-bromo-2-fluorotoluene (51437-00-4) → (4-fluoro-3-methyl)phenylmagnesium bromide (82297-89-0)

Guidance literature:

With magnesium; lithium chloride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/jacs.9b08586

Reference yield: 94.0%

di-ten-butyl dicarbonate + (4-fluoro-3-methyl)phenylmagnesium bromide (82297-89-0) → 4-fluoro-3-methylbenzoic acid tert-butyl ester (171050-00-3)

Guidance literature:

In tetrahydrofuran; diethyl ether;

Reference yield: 94.0%

di-tert-butyl dicarbonate (24424-99-5) + (4-fluoro-3-methyl)phenylmagnesium bromide (82297-89-0) → 4-fluoro-3-methylbenzoic acid tert-butyl ester (171050-00-3)

Guidance literature:

In tetrahydrofuran; at -78 - 20 ℃; for 4.25h;

DOI:10.1021/jm020050+

upstream raw materials:

5-bromo-2-fluorotoluene

Downstream raw materials:

Ethyl 5-<(4-Fluoro-3-methylphenyl)hydroxymethyl>pyrrole-2-carboxylate

2-<(4-Fluoro-3-methylphenyl)hydroxymethyl>-5-(4-methoxybenzoyl)pyrrole

4-fluoro-3-methyl-benzoic acid

4-fluoro-3-methylbenzoic acid tert-butyl ester