4-TRIFLUOROMETHYLPHENYLMAGNESIUMBROMIDE

Base Information

• Chemical Name: 4-TRIFLUOROMETHYLPHENYLMAGNESIUMBROMIDE
• CAS No.: 402-51-7
• Molecular Formula: C7H4BrF3Mg
• Molecular Weight: 249.313
• European Community (EC) Number: 609-805-7
• DSSTox Substance ID: DTXSID801271735
• Mol file: 402-51-7.mol

Synonyms:Bromo[4-(trifluoromethyl)phenyl]magnesium; magnesium, bromo[4-(trifluoromethyl)phenyl]-; 4-Trifluoromethylphenyl Magnesium Bromide

Chemical Property of 4-TRIFLUOROMETHYLPHENYLMAGNESIUMBROMIDE

Chemical Property:

• Boiling Point: 156.5°C
• PSA: 0.00000
• LogP: -0.47920
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 247.92989
• Heavy Atom Count: 12
• Complexity: 199

Purity/Quality:

98%min ^*data from raw suppliers

(4-(TRIFLUOROMETHYL)PHENYL)MAGNESIUM BROMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 3
• Hazard Codes: 3

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=[C-]1)C(F)(F)F.[Mg+2].[Br-]

Technology Process of 4-TRIFLUOROMETHYLPHENYLMAGNESIUMBROMIDE

There total 3 articles about 4-TRIFLUOROMETHYLPHENYLMAGNESIUMBROMIDE 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: 100.0%

p-trifluoromethylphenyl bromide (402-43-7) → 4-(trifluoromethyl)phenylmagnesium bromide (402-51-7)

Guidance literature:

With iodine; magnesium; In tetrahydrofuran; Inert atmosphere;

Reference yield:

p-trifluoromethylphenyl bromide (402-43-7) + magnesium (7439-95-4) → 4-(trifluoromethyl)phenylmagnesium bromide (402-51-7)

Guidance literature:

iodine; In tetrahydrofuran; at 20 ℃; for 2h; Product distribution / selectivity; Heating / reflux;

Reference yield:

→ 4-(trifluoromethyl)phenylmagnesium bromide (402-51-7)

Guidance literature:

DOI:10.1021/jo01260a037

upstream raw materials:

p-trifluoromethylphenyl bromide

magnesium

Downstream raw materials:

4-Trifluoromethylbenzaldehyde

4-CF₃C₆H₄CN

Cyclohex-3-enyl-(4-trifluoromethyl-phenyl)-methanone

4-trifluoromethylphenyl disulfide

Refernces

• 1、 Vasilyeva,Vorobyeva. "Synthesis of trifluoromethylated α-hydroxy acids and their derivatives based on alkyl trifluoropyruvates". . p. 1426 - 1432. Retrieved 2018/10/31.
• 2、 Nakatani, Jiro,Nozoe, Tatsuhiro. "Preparation of Trifluoromethylphenyl Magnesium Halides in the Presence of LiCl and Synthesis of 2′-Trifluoromethyl-Aromatic Ketones". . p. 1633 - 1636. Retrieved 2016/09/23.