Magnesium chloride (4-methylphenyl)methanide (1/1/1)

Base Information

• Chemical Name: Magnesium chloride (4-methylphenyl)methanide (1/1/1)
• CAS No.: 29875-07-8
• Molecular Formula: C8H9ClMg
• Molecular Weight: 164.917
• Hs Code.: 29310099
• DSSTox Substance ID: DTXSID50461541
• Mol file: 29875-07-8.mol

Synonyms:Magnesium chloride (4-methylphenyl)methanide (1/1/1);DTXSID50461541;J-017678

Chemical Property of Magnesium chloride (4-methylphenyl)methanide (1/1/1)

Chemical Property:

• Vapor Pressure: 7.94mmHg at 25°C
• Boiling Point: 65 °C(lit.)
• Flash Point: 1 °F
• PSA: 0.00000
• Density: 0.918 g/mL at 25 °C(lit.)
• LogP: 3.00020
• 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: 58.4

Purity/Quality:

99% ^*data from raw suppliers

4-Methylbenzylmagnesium chloride solution 0.5 M in THF ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F; C
• Hazard Codes: F,C,Xn
• Statements: 11-14-19-22-34-40-36/37/38
• Safety Statements: 16-26-33-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)[CH2-].[Mg+2].[Cl-]

Technology Process of Magnesium chloride (4-methylphenyl)methanide (1/1/1)

There total 1 articles about Magnesium chloride (4-methylphenyl)methanide (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: 96.0%

4-Methylbenzyl chloride (104-82-5) → (4-methylbenzyl)magnesium chloride (29875-07-8)

Guidance literature:

With iodine; magnesium; In tetrahydrofuran; at 20 ℃; for 15h; Inert atmosphere;

DOI:10.1021/acs.joc.8b01770

Reference yield: 96.0%

(4-methylbenzyl)magnesium chloride (29875-07-8) → 1,2-di-p-tolylethane (538-39-6)

Guidance literature:

With dilithium tetrachlorocuprate; N,N'-di-tert-butyldiaziridinone; In tetrahydrofuran; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/ol5030103

Reference yield: 90.0%

(4-methylbenzyl)magnesium chloride (29875-07-8) + (S)-Propylene oxide (16088-62-3) → C11H16O

Guidance literature:

(4-methylbenzyl)magnesium chloride; With copper(l) iodide; In tetrahydrofuran; at -30 ℃; for 0.0833333h;

(S)-Propylene oxide; In tetrahydrofuran; at -30 - 0 ℃; for 2.5h;

DOI:10.1039/d1gc02819g

upstream raw materials:

4-Methylbenzyl chloride

Downstream raw materials:

4-Hydroxy-3,4-dimethyl-5-p-tolyl-pentan-2-one

2-(4-methylbenzyl)-indene

3-Benzyl-4-(4-methyl-benzyl)-thiophene

2-Benzylpyridine

Refernces

• 1、 -. "HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES". Page 29. . Retrieved 2010/02/05.