Pyridine, 2-(phenyldi-1H-pyrazol-1-ylmethyl)-

Base Information

• Chemical Name: Pyridine, 2-(phenyldi-1H-pyrazol-1-ylmethyl)-
• CAS No.: 308847-53-2
• Molecular Formula: C18H15N5
• Molecular Weight: 301.351
• DSSTox Substance ID: DTXSID60464528
• Nikkaji Number: J1.398.362C
• Wikidata: Q82289882
• Mol file: 308847-53-2.mol

Synonyms:Pyridine, 2-(phenyldi-1H-pyrazol-1-ylmethyl)-;308847-53-2;DTXSID60464528

Chemical Property of Pyridine, 2-(phenyldi-1H-pyrazol-1-ylmethyl)-

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 301.13274550
• Heavy Atom Count: 23
• Complexity: 366

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=N2)(N3C=CC=N3)N4C=CC=N4

Technology Process of Pyridine, 2-(phenyldi-1H-pyrazol-1-ylmethyl)-

There total 1 articles about Pyridine, 2-(phenyldi-1H-pyrazol-1-ylmethyl)- 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: 66.0%

phenyl(pyridin-2-yl)methanone (91-02-1) + 1,1'-sulfinylbispyrazole (50476-18-1) → α,α,α-bis(1-pyrazolyl)(2-pyridinyl)toluene (308847-53-2)

Guidance literature:

With cobalt(II) chloride; In tetrahydrofuran; Reflux;

DOI:10.1039/c5dt00855g

Reference yield: 95.0%

silver(I) hexafluorophosphate (26042-63-7) + bromopentacarbonylmanganese(I) (14516-54-2) + α,α,α-bis(1-pyrazolyl)(2-pyridinyl)toluene (308847-53-2) → [(κ3-PhC(pyrazolyl)2(2-pyridyl))Mn(CO)3]PF6 (852996-46-4)

Guidance literature:

In acetone; byproducts: AgBr; (N2); Schlenk technique; mixt. of Mn complex and Ag salt in acetone was refluxed in dark for 1.5 h; septd. from ppt. and transferred by cannula filtration to soln. of ligand; ppt. was washed with acetone; washings was also transferred; refluxed for 2 h; solvent distd. (vac.); residue washed (Et2O); dried (vac.); elem. anal.;

DOI:10.1016/j.jorganchem.2004.10.049

Reference yield: 93.0%

iron(II) tetrafluoroborate hexahydrate + α,α,α-bis(1-pyrazolyl)(2-pyridinyl)toluene (308847-53-2) → (Fe(PhC(pz)2(py))2)(BF4)2

Guidance literature:

In tetrahydrofuran; under N2 atm. THF soln. Fe(BF4)2*6H2O was treated dropwise with THF soln. PhC(pz)2(py) and stirred for 30 min; solid was filtered, washed with Et2O and dried under vac.; elem. anal.;

DOI:10.1021/ic001102t

upstream raw materials:

phenyl(pyridin-2-yl)methanone

1,1'-sulfinylbispyrazole

Downstream raw materials:

α,α,α-bis(1-pyrazoyl)(2-pyridyl)-toluenetricarbonylmanganese triflate

(C₆H₅C(N(CH)3N)2(NC₅H₄))Re(CO)3⁽¹⁺⁾*Br^(1-)=((C₆H₅C(N₂C₃H₃)2(NC₅H₄))Re(CO)3)Br

Ag[κ(2)-[α,α-bis(1-pyrazolyl)-α-(2-pyridyl)toluene]2

[(κ3-PhC(pyrazolyl)2(2-pyridyl))Mn(CO)3]PF6

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