CID 6099573

Base Information

• Chemical Name: CID 6099573
• CAS No.: 308796-07-8
• Molecular Formula: C₅H₁₁BrZn
• Molecular Weight: 216.436
• DSSTox Substance ID: DTXSID40394056
• Mol file: 308796-07-8.mol

Synonyms:bromozinc(1+);pentane;DTXSID40394056

Chemical Property of CID 6099573

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 2.98730
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 213.93355
• Heavy Atom Count: 7
• Complexity: 11.5

Purity/Quality:

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

1-Methylbutylzinc bromide solution 0.5 M in THF ^*data from reagent suppliers

Safty Information:

• 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

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC[CH-]C.[Zn+]Br

Technology Process of CID 6099573

There total 1 articles about CID 6099573 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:

2-bromopentane (107-81-3) + zinc (7440-66-6) → 1-methylbutylzinc bromide (308796-07-8)

Guidance literature:

zinc; With lithium chloride; for 0.5h; Inert atmosphere;

With ethylene dibromide; In tetrahydrofuran; at 60 ℃; for 0.333333h; Inert atmosphere;

2-bromopentane; Further stages;

DOI:10.1002/anie.201205747 DOI:10.1002/anie.201205747

Reference yield:

1-methylbutylzinc bromide (308796-07-8) + 1-fluoro-1-iodo-2-phenylethene → ((Z)-2-Fluoro-3-methyl-hex-1-enyl)-benzene + (Z)-(2-fluorovinyl)benzene (20405-78-1) + (1Z,3Z) 2,3-difluoro-1,4-diphenyl-buta-1,3-diene

Guidance literature:

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In tetrahydrofuran; benzene; at 50 ℃; for 3h; Further Variations:; Reagents; Temperatures; reaction times; Product distribution;

DOI:10.1021/jo051980e

upstream raw materials:

2-bromopentane

zinc

Downstream raw materials:

(Z)-(2-fluorovinyl)benzene

Refernces

• 1、 Pompeo, Matthew,Froese, Robert D. J.,Hadei, Niloufar,Organ, Michael G.. "Pd-PEPPSI-IPentCl: A highly effective catalyst for the selective cross-coupling of secondary organozinc reagents". . p. 11354 - 11357. Retrieved 2013/01/15.