CID 6099370

Base Information

• Chemical Name: CID 6099370
• CAS No.: 121905-60-0
• Molecular Formula: C7H7ClMg
• Molecular Weight: 150.891
• DSSTox Substance ID: DTXSID90402695
• Mol file: 121905-60-0.mol

Synonyms:DTXSID90402695

Chemical Property of CID 6099370

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 27.7mmHg at 25°C
• Boiling Point: 110.6°C at 760 mmHg
• Flash Point: -6 °F
• PSA: 0.00000
• Density: 0.956 g/mL at 25 °C
• LogP: 2.48470
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.0086696
• Heavy Atom Count: 9
• Complexity: 136

Purity/Quality:

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

m-Tolylmagnesium chloride 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
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of CID 6099370

There total 2 articles about CID 6099370 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:

1-chloro-3-methylbenzene (108-41-8) + magnesium (7439-95-4) → 3-methylphenylmagnesium chloride (121905-60-0)

Guidance literature:

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

Reference yield:

3-Iodotoluene (625-95-6) → 3-methylphenylmagnesium chloride (121905-60-0)

Guidance literature:

With tetrahydrofuran; magnesium; lithium chloride; In toluene; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/op200275d

Reference yield: 86.0%

3-methylphenylmagnesium chloride (121905-60-0) → 3,3'-dimethyl-biphenyl (612-75-9)

Guidance literature:

With lithium perchlorate; palladium diacetate; In toluene; at 100 ℃; for 16h; Reagent/catalyst; Inert atmosphere;

DOI:10.1039/c6ra17859f

upstream raw materials:

1-chloro-3-methylbenzene

magnesium

3-Iodotoluene

Downstream raw materials:

1-methy-3-[(trifluoromethyl)thio]benzene

biphenyl

3,3'-dimethyl-biphenyl

3-methylbiphenyl

Refernces

• 1、 -. "METHOD FOR PRODUCING BIPHENYL DERIVATIVE". Page/Page column 6. . Retrieved 2009/08/13.