Tetrachlorobis(tetrahydrofuran)zirconium

Base Information

• Chemical Name: Tetrachlorobis(tetrahydrofuran)zirconium
• CAS No.: 21959-01-3
• Molecular Formula: C₈H₁₆Cl₄O₂Zr
• Molecular Weight: 377.25
• European Community (EC) Number: 627-852-1
• DSSTox Substance ID: DTXSID4049820
• Mol file: 21959-01-3.mol

Synonyms:Tetrachlorobis(tetrahydrofuran)zirconium;21959-01-3;oxolane;tetrachlorozirconium;zrcl4(thf)2;MFCD00145367;SCHEMBL148678;DTXSID4049820;WAA95901;F87498

Chemical Property of Tetrachlorobis(tetrahydrofuran)zirconium

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 152mmHg at 25°C
• Melting Point: 175-177 °C(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 18.46000
• Density: g/cm³
• LogP: 4.35160
• Storage Temp.: 0-6°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 375.892189
• Heavy Atom Count: 15
• Complexity: 41.9

Purity/Quality:

99% ^*data from raw suppliers

Tetrachlorobis(tetrahydrofuran)zirconium ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,F
• Statements: 20/21/22-34-11
• Safety Statements: 22-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCOC1.C1CCOC1.Cl[Zr](Cl)(Cl)Cl
• Uses: It is an important organic intermediate and can be used in agrochemicals, paharmaceuticals and dyestuff field.

Technology Process of Tetrachlorobis(tetrahydrofuran)zirconium

There total 3 articles about Tetrachlorobis(tetrahydrofuran)zirconium 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: 61.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + zirconium(IV) chloride (10026-11-6) → zirconium tetrachloride bis(tetrahydrofuran) complex (21959-01-3,125410-70-0,125410-71-1)

Guidance literature:

In dichloromethane; at -25 - 20 ℃; for 1.25h; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.poly.2016.07.033

Reference yield:

zirconium trichloride isopropoxide (tetrahydrofurane)2 (125329-94-4) → zirconium tetrachloride bis(tetrahydrofuran) complex (21959-01-3,125410-70-0,125410-71-1) + zirconium dichloride diisopropoxide (96539-63-8)

Guidance literature:

In dichloromethane-d2; byproducts: THF; at -80°C; not isolated, detected by NMR;

Reference yield:

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + ZrCl4(4-t-BuC6H4CH2PPh2=NC6H2Me3-2,4,6) (388123-83-9) → zirconium tetrachloride bis(tetrahydrofuran) complex (21959-01-3,125410-70-0,125410-71-1)

Guidance literature:

In tetrahydrofuran; under N2, Schlenk techniques; Zr complex dissolved in THF;

DOI:10.1039/b105038a

upstream raw materials:

tetrahydrofuran

zirconium(IV) chloride

zirconium trichloride isopropoxide (tetrahydrofurane)2

ZrCl₄(4-t-BuC₆H₄CH₂PPh₂=NC₆H₂Me₃-2,4,6)

Downstream raw materials:

(THF)2Cl₂Zr(2,4,6-Me₃-C₆H₂O)

ZrCl₂{O-2,6-(CH₃)2C₆H₃}2(THF)2

(THF)2Cl₂Zr(2,4-tBu₂C₆H₃O)2

(THF)2Cl₃Zr(2,4-tBuC₆H₃O)

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