Phenylethynylmagnesium bromide

Base Information

• Chemical Name: Phenylethynylmagnesium bromide
• CAS No.: 6738-06-3
• Molecular Formula: C8 H5 Br Mg
• Molecular Weight: 205.337
• Hs Code.: 2931900090
• European Community (EC) Number: 687-117-6
• Mol file: 6738-06-3.mol

Synonyms:PHENYLETHYNYLMAGNESIUM BROMIDE;6738-06-3;(2-Phenylethynyl)magnesium bromide;MFCD00134164;phenylethynyl magnesium bromide;SCHEMBL135912;(phenylethynyl)magnesium bromide;KELYMAJHHHGLIW-UHFFFAOYSA-M;Phenylethynylmagnesium bromide, 0.50 M in THF;Phenylethynylmagnesium bromide, 1.0 M in 2-MeTHF;PHENYLETHYNYLMAGNESIUM BROMIDE, 1.0M SOL UTION IN TETRAHYDROFURAN

Chemical Property of Phenylethynylmagnesium bromide

Chemical Property:

• Vapor Pressure: 7.02mmHg at 25°C
• Boiling Point: 142.4°C at 760 mmHg
• Flash Point: −6 °F
• PSA: 0.00000
• Density: 1.018 g/mL at 25 °C
• LogP: -1.37150
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.94250
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

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

Phenylethynylmagnesium bromide solution 1.0M in THF ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,C
• Statements: 11-14-19-20/21/22-34-40-37-17
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Phenylethynylmagnesium bromide

There total 7 articles about Phenylethynylmagnesium bromide 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:

phenylmagnesium bromide + 1-Bromo-2-phenylacetylene (932-87-6) → phenylethynylmagnesium bromide (6738-06-3) + bromobenzene (108-86-1,52753-63-6) + biphenyl (92-52-4,1594-86-1)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 20 ℃; for 0.166667h; Product distribution;

Reference yield:

1-Bromo-2-phenylacetylene (932-87-6) → phenylethynylmagnesium bromide (6738-06-3)

Guidance literature:

With magnesium; In diethyl ether;

Reference yield:

phenylacetylene (536-74-3) → phenylethynylmagnesium bromide (6738-06-3)

Guidance literature:

With ethylmagnesium bromide;

upstream raw materials:

bromostyrene

phenylacetylene

ethylmagnesium bromide

1-Bromo-2-phenylacetylene

Downstream raw materials:

1-phenyl-3-(2-furyl)prop-1-yne

Tris(phenylethynyl)methyl alcohol

1,5-diphenylpenta-1,4-diyn-3-ol

2-methyl-5-phenylpent-1-en-4-yn-3-ol

Refernces

• 1、 Butkevich, Alexey N.,Meerpoel, Lieven,Stansfield, Ian,Angibaud, Patrick,Corbu, Andrei,Cossy, Janine. "Tandem Suzuki-Miyaura coupling/acid-catalyzed cyclization between vinyl ether boronates and vinyl halides: A concise approach to polysubstituted furans". supporting information. p. 3840 - 3843. Retrieved 2013/09/02.
• 2、 Kude, Keisuke,Hayase, Shuichi,Kawatsura, Motoi,Itoh, Toshiyuki. "Iron-catalyzed quick homocoupling reaction of aryl or alkynyl Grignard reagents using a phosphonium ionic liquid solvent system". experimental part. p. 397 - 404. Retrieved 2012/01/13.