2,6-Bis-(diphenylhydroxymethyl)-pyridine

Base Information

• Chemical Name: 2,6-Bis-(diphenylhydroxymethyl)-pyridine
• CAS No.: 58451-82-4
• Molecular Formula: C31H25NO2
• Molecular Weight: 443.545
• DSSTox Substance ID: DTXSID10973998
• Nikkaji Number: J85.658D
• Mol file: 58451-82-4.mol

Synonyms:2,6-bis(diphenylhydroxymethyl)piperidine

Chemical Property of 2,6-Bis-(diphenylhydroxymethyl)-pyridine

Chemical Property:

• Vapor Pressure: 3.06E-17mmHg at 25°C
• Melting Point: 189 °C(Solv: toluene (108-88-3))
• Refractive Index: 1.6310 (estimate)
• Boiling Point: 639.7°C at 760 mmHg
• PKA: 11.33±0.29(Predicted)
• Flash Point: 107.5°C
• PSA: 53.35000
• Density: 1.176g/cm³
• LogP: 5.65000
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 443.188529040
• Heavy Atom Count: 34
• Complexity: 523

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NC(=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)O

Technology Process of 2,6-Bis-(diphenylhydroxymethyl)-pyridine

There total 3 articles about 2,6-Bis-(diphenylhydroxymethyl)-pyridine 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: 81.0%

2,6-bis(methoxycarbonyl)pyridine (5453-67-8) + phenylmagnesium bromide (100-58-3) → 2,6-bis-(1-hydroxy-1,1-diphenyl-methyl) pyridine (58451-82-4)

Guidance literature:

In tetrahydrofuran; dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1016/j.ica.2014.02.007

Reference yield: 63.0%

2,6-bis(methoxycarbonyl)pyridine (5453-67-8) + bromobenzene (108-86-1,52753-63-6) → 2,6-bis-(1-hydroxy-1,1-diphenyl-methyl) pyridine (58451-82-4)

Guidance literature:

bromobenzene; With magnesium;

2,6-bis(methoxycarbonyl)pyridine;

DOI:10.1016/S0022-328X(03)00150-5

Reference yield:

2,6-bis(methoxycarbonyl)pyridine (5453-67-8) + phenyllithium (591-51-5) → 2,6-bis-(1-hydroxy-1,1-diphenyl-methyl) pyridine (58451-82-4)

Guidance literature:

In tetrahydrofuran; at -78 ℃; for 6h; Reflux; Inert atmosphere;

DOI:10.1080/00958972.2014.982111

upstream raw materials:

2,6-bis(methoxycarbonyl)pyridine

bromobenzene

phenylmagnesium bromide

phenyllithium

Downstream raw materials:

4,4-dimethyl-2,2,6,6-tetraphenyl-3,5-dioxa-11-aza-4-stanna-bicyclo[5.3.1]undeca-1-⁽¹⁰⁾,7⁽¹¹⁾,8-triene

titanium⁽⁴⁺⁾ tetraphenyl-2,6-pyridinedimethoxide dichloride

[Ti(O-i-Pr)2(2,5-bis(hydroxy(diphenyl)methyl)pyridine(-2H))]

Ge(C₅H₃N(C(C₆H₅)2O)2)

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