CID 6093565

Base Information

• Chemical Name: CID 6093565
• CAS No.: 312693-07-5
• Molecular Formula: C7H6 Cl F Zn
• Molecular Weight: 209.966
• Hs Code.: 29319090
• European Community (EC) Number: 806-450-1
• Mol file: 312693-07-5.mol

Synonyms:4-Fluorobenzylzinc chloride

Chemical Property of CID 6093565

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: -1.11480
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 207.943348
• Heavy Atom Count: 10
• Complexity: 64.8

Purity/Quality:

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

4-Fluorobenzylzinc chloride solution 0.5 M in THF ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn
• Statements: 11-14-19-22-36/37/38-40-36/37
• Safety Statements: 16-26-33-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [CH2-]C1=CC=C(C=C1)F.Cl[Zn+]

Technology Process of CID 6093565

There total 2 articles about CID 6093565 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: 95.5%

1-chloromethyl-4-fluorobenzene (352-11-4) + zinc (7440-66-6) → 4-fluorobenzylzinc chloride (312693-07-5)

Guidance literature:

1-chloromethyl-4-fluorobenzene; With chloro-trimethyl-silane; In tetrahydrofuran; ethylene dibromide; at 65 - 75 ℃; Inert atmosphere;

zinc; In tetrahydrofuran; ethylene dibromide; for 3h; Temperature;

Reference yield:

1-chloromethyl-4-fluorobenzene (352-11-4) + zinc(II) chloride (7646-85-7,24359-56-6) → 4-fluorobenzylzinc chloride (312693-07-5)

Guidance literature:

With magnesium; lithium chloride; In tetrahydrofuran; ligand, Mg, LiCl, ZnCl2 (1:2.5:1.25:1.1 molar ratio) for 45 min at 25°C;

DOI:10.1039/b812396a

Reference yield: 99.0%

6-bromo-3,3-dimethyl-2,3-dihydro-pyrrolo[3,2-b]pyridine-1-carboxylic acid tert-butyl ester (1403901-49-4) + (4-fluorobenzyl)zinc(II) chloride (312693-07-5) → 6-(4-fluoro-benzyl)-3,3-dimethyl-2,3-dihydro-pyrrolo[3,2-b]pyridine-1-carboxylic acid tert-butyl ester (1403903-10-5)

Guidance literature:

With lithium bromide; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 20 ℃; for 3h; Inert atmosphere;

upstream raw materials:

1-chloromethyl-4-fluorobenzene

zinc

zinc(II) chloride

Downstream raw materials:

2-amino-5-(4'-fluorobenzyl)benzonitrile

C₁₅H₁₄FN₃

[(3aR,4R,6R,6aR)-6-(6-(4-fluorobenzyl)-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro-[3,4-d][1,3]dioxol-4-yl]methyl acetate

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