Bromozinc(1+) 5-cyano-5-methylhexan-1-ide

Base Information

• Chemical Name: Bromozinc(1+) 5-cyano-5-methylhexan-1-ide
• CAS No.: 312693-22-4
• Molecular Formula: C₈H₁₄BrNZn
• Molecular Weight: 269.5
• DSSTox Substance ID: DTXSID70393774
• Mol file: 312693-22-4.mol

Synonyms:Bromozinc(1+) 5-cyano-5-methylhexan-1-ide;bromozinc(1+);2,2-dimethylhexanenitrile;312693-22-4;DTXSID70393774

Chemical Property of Bromozinc(1+) 5-cyano-5-methylhexan-1-ide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 23.79000
• Density: g/cm³
• LogP: 3.51718
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 266.96010
• Heavy Atom Count: 11
• Complexity: 118

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

5-Cyano-5-methylhexylzincbromide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCC[CH2-])C#N.[Zn+]Br

Technology Process of Bromozinc(1+) 5-cyano-5-methylhexan-1-ide

There total 1 articles about Bromozinc(1+) 5-cyano-5-methylhexan-1-ide 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:

6-bromo-2,2-dimethylhexanenitrile (53545-96-3) + zinc (7440-66-6) → (5-cyano-5-methylhexyl)zinc(II) bromide (312693-22-4)

Guidance literature:

With iodine; In N,N-dimethyl acetamide; at 70 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1021/ja4076716

Reference yield:

methyl (E)-3-(2-((2-butylaziridin-1-yl)sulfonyl)phenyl)acrylate (1452489-72-3) + (5-cyano-5-methylhexyl)zinc(II) bromide (312693-22-4) → methyl (E)-3-(2-(N-(11-cyano-11-methyldodecan-5-yl)sulfamoyl)phenyl)acrylate (1452489-44-9) + methyl (E)-3-(2-(N-(2-butyl-7-cyano-7-methyloctyl)sulfamoyl)phenyl)acrylate (1452489-45-0)

Guidance literature:

With nickel(II) bromide dimethoxyethane; lithium chloride; In tetrahydrofuran; N,N-dimethyl acetamide; at 23 ℃; for 12h; Overall yield = 79%; Overall yield = 33.3mg; regioselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1021/ja4076716

upstream raw materials:

6-bromo-2,2-dimethylhexanenitrile

zinc

Downstream raw materials:

methyl (E)-3-(2-(N-(11-cyano-11-methyldodecan-5-yl)sulfamoyl)phenyl)acrylate

methyl (E)-3-(2-(N-(2-butyl-7-cyano-7-methyloctyl)sulfamoyl)phenyl)acrylate