Bromozinc(1+);3-methanidylheptane

Base Information

• Chemical Name: Bromozinc(1+);3-methanidylheptane
• CAS No.: 312693-03-1
• Molecular Formula: C8H17 Br Zn
• Molecular Weight: 258.517
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID70400331
• Mol file: 312693-03-1.mol

Synonyms:bromozinc(1+);3-methanidylheptane;DTXSID70400331;J-018331

Chemical Property of Bromozinc(1+);3-methanidylheptane

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 4.01350
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 255.98050
• Heavy Atom Count: 10
• Complexity: 41.3

Purity/Quality:

99% ^*data from raw suppliers

2-Ethylhexylzinc bromide solution 0.5M in THF ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn
• Statements: 22-36/37/38-40-36/37-19-11
• Safety Statements: 16-23-26-36-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC([CH2-])CC.[Zn+]Br

Technology Process of Bromozinc(1+);3-methanidylheptane

There total 1 articles about Bromozinc(1+);3-methanidylheptane 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:

3-bromomethylheptane (18908-66-2) + zinc (7440-66-6) → (2-ethylhexyl)zinc(II) bromide (312693-03-1)

Guidance literature:

With ethylmagnesium iodide; copper(l) iodide; In diethyl ether; Zn, ligand, EtMgI and CuI were added to reactor with Et2O, heated at 35°C for 48 h with stirring; decanted, washed with Et2O;

DOI:10.1023/A:1025684302325

Reference yield: 95.0%

3-Bromothiophene (872-31-1) + (2-ethylhexyl)zinc(II) bromide (312693-03-1) → 3-(2-ethylhexyl)thiophene (121134-38-1)

Guidance literature:

With [1,1'-bis(diphenylphosphino)-ferrocene]palladium(II) chloride-dichlormethane complex; In N,N-dimethyl acetamide; at 80 ℃; for 12h;

Reference yield: 76.0%

1-bromo-2-cyclohexylethane (1647-26-3) + (2-ethylhexyl)zinc(II) bromide (312693-03-1) → (4-ethyloctyl)cyclohexane

Guidance literature:

With 1-methyl-1H-imidazole; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 80 ℃; for 14h;

DOI:10.1021/ja0363258

upstream raw materials:

3-bromomethylheptane

zinc

Downstream raw materials:

3-(2-ethylhexyl)thiophene