Magnesium, chloro(4-methylphenyl)-

Base Information

• Chemical Name: Magnesium, chloro(4-methylphenyl)-
• CAS No.: 696-61-7
• Molecular Formula: C7H7ClMg
• Molecular Weight: 150.891
• Hs Code.: 29310099
• European Community (EC) Number: 627-117-5
• DSSTox Substance ID: DTXSID2074328
• Mol file: 696-61-7.mol

Synonyms:p-tolylmagnesium chloride;696-61-7;Magnesium, chloro(4-methylphenyl)-;4-tolylmagnesium chloride;magnesium;methylbenzene;chloride;Magnesium,chloro(4-methylphenyl)-;4-tolyl-magnesium chloride;SCHEMBL477429;P-TOLYLMAGNESIUMCHLORIDE;4-methylphenylmagnesium chloride;DTXSID2074328;YBPFQOFSPMWGKA-UHFFFAOYSA-M

Chemical Property of Magnesium, chloro(4-methylphenyl)-

Chemical Property:

• Appearance/Colour: dark colored solution
• Flash Point: -20 °C
• PSA: 0.00000
• Density: 0.974 g/mL at 25 °C
• LogP: 2.48470
• Storage Temp.: Indoors
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.0086696
• Heavy Atom Count: 9
• Complexity: 129

Purity/Quality:

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

p-Tolylmagnesium chloride solution 1.0M in THF ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=[C-]C=C1.[Mg+2].[Cl-]

Technology Process of Magnesium, chloro(4-methylphenyl)-

There total 2 articles about Magnesium, chloro(4-methylphenyl)- 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: 97.0%

para-chlorotoluene (106-43-4) → 4-tolylmagnesium chloride (696-61-7)

Guidance literature:

With potassium; potassium iodide; magnesium chloride; In tetrahydrofuran; for 4h; Inert atmosphere; Reflux;

DOI:10.1016/j.jorganchem.2008.12.021

Reference yield:

para-chlorotoluene (106-43-4) + magnesium (7439-95-4) → 4-tolylmagnesium chloride (696-61-7)

Guidance literature:

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

Reference yield: 99.0%

para-bromotoluene (106-38-7) + 4-tolylmagnesium chloride (696-61-7) → (4,4'-dimethyl-1,1'-biphenyl) (613-33-2)

Guidance literature:

With C₃₆H₅₂Br₂N₄NiSi; In tetrahydrofuran; at 70 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201409739

upstream raw materials:

para-chlorotoluene

magnesium

Downstream raw materials:

2,5-dimethylbenzoic acid

4,4',4-(ethene-1,1,2-triyl)tris(methylbenzene)

9-(4-methylbenzylidene)-9H-xanthene

2.6-dimethylnaphthalene

Refernces

• 1、 Zhou, Zhiming,Xue, Weizhe. "Manganese-catalyzed oxidative homo-coupling of aryl Grignard chlorides". supporting information; experimental part. p. 599 - 603. Retrieved 2009/05/30.