Bis(cyclopentadienyl)zirconium Chloride hydride

Base Information

• Chemical Name: Bis(cyclopentadienyl)zirconium Chloride hydride
• CAS No.: 37342-97-5
• Molecular Formula: C10H11ClZr
• Molecular Weight: 257.87
• Hs Code.: 29319090
• European Community (EC) Number: 253-479-5
• Wikipedia: Schwartz's_reagent,Schwartz's reagent
• Mol file: 37342-97-5.mol

Synonyms:Bis(cyclopentadienyl)zirconium Chloride hydride;37342-97-5;Schwartz's Reagent;Zirconocene chloride hydride;cyclopenta-1,3-diene;hydride;zirconium(4+);chloride;Cp2Zr(H)Cl;C10H11ClZr;UNII-S84D01XQGL;C10-H11-Cl-Zr;Bis(cyclopentadienyl)zirconium(IV) chloride hydride;EINECS 253-479-5;Bis(3-cyclopentadienyl)chlorohydrurozirconium;Chlorobis(?5-2,4-cyclopentadien-1-yl)hydrozirconium;UPZRXMLKDSCYCP-UHFFFAOYSA-M;MFCD02089401;SC10902;Bis(cyclopentadienyl)zirconiumchloride hydride;Z0010;Bis(cyclopentadienyl)zirconium (IV) chloride hydride

Chemical Property of Bis(cyclopentadienyl)zirconium Chloride hydride

Chemical Property:

• Appearance/Colour: white to beige powder
• Vapor Pressure: 418mmHg at 25°C
• Melting Point: 300 °C
• Boiling Point: 41.5ºC at 760 mmHg
• PSA: 0.00000
• LogP: -0.23700
• Storage Temp.: 2-8°C
• Sensitive.: Light, Air & Moisture Sensitive
• Water Solubility.: reacts
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 255.959627
• Heavy Atom Count: 12
• Complexity: 53.3

Purity/Quality:

99%, ^*data from raw suppliers

Zirconocene Chloride Hydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F； C
• Hazard Codes: F,C
• Statements: 11-15-34
• Safety Statements: 16-26-27-36/37/39-8-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [H-].[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Zr+4]
• Uses: Functionalization of unsaturated systems via an organozirconium intermediate. Bis(cyclopentadienyl)zirconium hydridochloride is used in the conversion of amides to aldehydes. It is also used as a pharmaceutical intermediate.

Refernces

Dimethylzinc-mediated additions of alkenylzirconocenes to aldimines. New methodologies for allylic amine and C-cyclopropylalkylamine syntheses

10.1021/ja028092a

The research focuses on the development of new methodologies for the synthesis of allylic amines and C-cyclopropylalkylamines through dimethylzinc-mediated additions of alkenylzirconocenes to aldimines. The purpose of this study was to create an efficient route for the preparation of synthetically useful allylic amine building blocks and to explore the potential of in situ cyclopropanation of N-metalated allylic amides, leading to the formation of C-cyclopropylalkylamines with high yields and excellent diastereoselectivities. The key chemicals used in this process include zirconocene hydrochloride, dimethylzinc, alkynes, and aldimines. The conclusions of the research highlight the successful establishment of a new route for allylic amine synthesis and the discovery of a domino reaction that provides a synthetically valuable structural motif in a single step, with the use of enynes as starting materials allowing for the stereoselective formation of five new carbon-carbon bonds.

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