Magnesium chloride 3,4-dimethylbenzen-1-ide (1/1/1)

Base Information

• Chemical Name: Magnesium chloride 3,4-dimethylbenzen-1-ide (1/1/1)
• CAS No.: 102928-12-1
• Molecular Formula: C8H9ClMg
• Molecular Weight: 164.92
• DSSTox Substance ID: DTXSID10565155
• Mol file: 102928-12-1.mol

Synonyms:Magnesium chloride 3,4-dimethylbenzen-1-ide (1/1/1);DTXSID10565155;GWASNGNCVSXDRR-UHFFFAOYSA-M;magnesium;1,2-dimethylbenzene-5-ide;chloride

Chemical Property of Magnesium chloride 3,4-dimethylbenzen-1-ide (1/1/1)

Chemical Property:

• Appearance/Colour: liquid
• Boiling Point: 65 °C
• Flash Point: 1 °F
• PSA: 0.00000
• Density: 0.925 g/mL at 25 °C
• LogP: 2.79310
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 164.0243197
• Heavy Atom Count: 10
• Complexity: 169

Purity/Quality:

98%Min ^*data from raw suppliers

3,4-Dimethylphenylmagnesium chloride solution 0.5M 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: CC1=C(C=[C-]C=C1)C.[Mg+2].[Cl-]

Technology Process of Magnesium chloride 3,4-dimethylbenzen-1-ide (1/1/1)

There total 1 articles about Magnesium chloride 3,4-dimethylbenzen-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: 90.0%

4-chloro-1,2-dimethylbenzene (615-60-1) + magnesium (7439-95-4) → (3,4-dimethylphenyl)magnesium chloride (102928-12-1)

Guidance literature:

With ethyl bromide; tert-butylmagnesium chloride; In tetrahydrofuran; at 35 - 60 ℃; for 3h; Product distribution / selectivity;

Reference yield:

C22H37NO3 + (3,4-dimethylphenyl)magnesium chloride (102928-12-1) → C28H40O2

Guidance literature:

In tetrahydrofuran; at 25 ℃; for 12h;

Reference yield:

C23H39NO3 + (3,4-dimethylphenyl)magnesium chloride (102928-12-1) → C29H42O2

Guidance literature:

In tetrahydrofuran; at 25 ℃; for 2h;

upstream raw materials:

4-chloro-1,2-dimethylbenzene

magnesium

Refernces