Bis(cyclopentadienyl)niobium(IV) dichloride

Base Information

• Chemical Name: Bis(cyclopentadienyl)niobium(IV) dichloride
• CAS No.: 12793-14-5
• Molecular Formula: C10H10 Cl2 Nb
• Molecular Weight: 294.002
• Hs Code.: 29310099
• European Community (EC) Number: 631-385-9
• Wikipedia: Niobocene_dichloride
• Mol file: 12793-14-5.mol

Synonyms:Cp2NbCl2;dichloro-dicyclopentadienyl-niobium;niobocene dichloride

Chemical Property of Bis(cyclopentadienyl)niobium(IV) dichloride

Chemical Property:

• Appearance/Colour: brown solid
• PSA: 0.00000
• LogP: 3.42200
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 292.92233
• Heavy Atom Count: 13
• Complexity: 14.4

Purity/Quality:

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

Bis(cyclopentadienyl)niobium(IV) dichloride 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.Cl[Nb]Cl

Technology Process of Bis(cyclopentadienyl)niobium(IV) dichloride

There total 25 articles about Bis(cyclopentadienyl)niobium(IV) dichloride 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: 80.2%

pyrocatechol phosphorochloridite (1641-40-3) + niobocene trihydride (11105-67-2) → niobocene dichloride (12793-14-5)

Guidance literature:

In tetrahydrofuran; byproducts: H2, HP(O2C6H4)2; absence of air and moisture; pptn. on mixing Nb-complex with 2 equiv. ofphosphine; decantation;

DOI:10.1016/S0022-328X(97)00278-7

Reference yield: 79.0%

[(η(5)-C5H5)NbCl4] + (tri-n-butylstannyl)cyclopentadiene (3912-86-5) → niobocene dichloride (12793-14-5)

Guidance literature:

In dichloromethane; stirred for 4 d at room temp.; concd. (vac.), toluene added, filtered after 1 h, crystals washed with toluene, dried (vac.);

DOI:10.1016/S0022-328X(00)90294-8

Reference yield: 76.0%

dichloroniobocenium hexafluorophosphate → niobocene dichloride (12793-14-5)

Guidance literature:

With Na#Hg; In tetrahydrofuran; byproducts: Hg; soln. of Nb complex in THF vigorously stirred with Na/Hg amalgam for 3 h under inert atm.; filtered, Hg removed by decantation; identified by IR;

upstream raw materials:

(tri-n-butylstannyl)cyclopentadiene

(Cp)2Nb(η-1-(CH3)3CC5H4)Cl

diethyl phosphorylchloridite

niobocene trihydride

Downstream raw materials:

iodine

nitrogen(II) oxide

arsenic(III) fluoride

silver

Refernces

• 1、 Green, Malcolm L.H.,Jousseaume, Bernard. "BIS(η-ISOPROPYLCYCLOPENTADIENYL)TANTALUM CHEMISTRY: SOME HYDRIDE, CARBONYL, ALKYL, ALKYNE AND TERTIARYPHOSPHINE DERIVATIVES, AND AN IMPROVED SYNTHESIS OF DICHLOROBISCYCLOPENTADIENYLNIOBIUM". . p. 339 - 344. Retrieved 1980.
• 2、 Calderazzo, Fausto,Giardi, Cecilia,Englert, Ulli,Pampaloni, Guido. "Synthesis, characterization and reactivity of tetracyclopentadienylniobium(IV), a precursor to organometallic derivatives of niobium(IV)". . p. 275 - 280. Retrieved 2007/10/03.