A-Methylbenzylzinc bromide

Base Information

• Chemical Name: A-Methylbenzylzinc bromide
• CAS No.: 85459-20-7
• Molecular Formula: C8H9BrZn
• Molecular Weight: 250.453
• Hs Code.: 2931900090
• European Community (EC) Number: 804-636-7
• Mol file: 85459-20-7.mol

Synonyms:85459-20-7;A-METHYLBENZYLZINC BROMIDE;a-Methylbenzylzinc bromide 0.5 M in Tetrahydrofuran;bromozinc(1+);ethylbenzene;alpha-methylbenzyl zinc bromide;MFCD01311436;AKOS016018002

Chemical Property of A-Methylbenzylzinc bromide

Chemical Property:

• Flash Point: 1 °F
• PSA: 0.00000
• Density: 0.965 g/mL at 25 °C
• LogP: 3.23550
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Water Solubility.: Reacts with water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 247.91790
• Heavy Atom Count: 10
• Complexity: 60.3

Purity/Quality:

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

alpha-Methylbenzylzinc chloride, 0.5M in THF, packaged under Argon in resealable ChemSeal? bottles ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[CH-]C1=CC=CC=C1.[Zn+]Br

Technology Process of A-Methylbenzylzinc bromide

There total 2 articles about A-Methylbenzylzinc 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:

(1-bromoethyl)benzne (585-71-7,38661-81-3) + ethylene dibromide (106-93-4) → (α-methylbenzyl)zinc bromide (85459-20-7)

Guidance literature:

With chloro-trimethyl-silane; zinc; In tetrahydrofuran; at 70 ℃; for 1h; Inert atmosphere;

Reference yield:

(1-bromoethyl)benzne (585-71-7,38661-81-3) → (α-methylbenzyl)zinc bromide (85459-20-7)

Guidance literature:

With chloro-trimethyl-silane; ethylene dibromide; lithium chloride; zinc; In tetrahydrofuran; at 20 - 50 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1021/ol4032683

Reference yield: 95.0%

4-Cyanochlorobenzene (623-03-0) + (α-methylbenzyl)zinc bromide (85459-20-7) → 1-(4-cyanophenyl)-1-phenylethane (125847-21-4)

Guidance literature:

With dichloro(1,3-bis(2,6-bis(3-pentyl)phenyl)imidazolin-2-ylidene)(3-chloropyridyl)palladium(II); In tetrahydrofuran; toluene; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1039/c0cc04835f

upstream raw materials:

(1-bromoethyl)benzne

ethylene dibromide

Downstream raw materials:

1,2-diphenyl-1-propanol

1-cyclohexyl-2-phenylpropan-1-one

2-phenylpropanal ethylene acetal

2,3-diphenylbutane

Refernces

• 1、 Wang, Dong-Chao,Niu, Hong-Ying,Xie, Ming-Sheng,Qu, Gui-Rong,Wang, Hui-Xuan,Guo, Hai-Ming. "Highly regioselective three-component domino heck-negishi coupling reaction for the functionalization of purines at C6". supporting information. p. 262 - 265. Retrieved 2014/01/23.