Bis(phenylmethyl) 4-(phenylmethoxy)-2,6-pyridinedicarboxylate

Base Information

• Chemical Name: Bis(phenylmethyl) 4-(phenylmethoxy)-2,6-pyridinedicarboxylate
• CAS No.: 99097-41-3
• Molecular Formula: C28H23 N O5
• Molecular Weight: 453.494
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50542682
• Wikidata: Q82419417
• Mol file: 99097-41-3.mol

Synonyms:99097-41-3;BIS(PHENYLMETHYL) 4-(PHENYLMETHOXY)-2,6-PYRIDINEDICARBOXYLATE;DTXSID50542682;Dibenzyl 4-(benzyloxy)pyridine-2,6-dicarboxylate;J-400037

Chemical Property of Bis(phenylmethyl) 4-(phenylmethoxy)-2,6-pyridinedicarboxylate

Chemical Property:

• Vapor Pressure: 5.19E-16mmHg at 25°C
• Refractive Index: 1.619
• Boiling Point: 634.7°Cat760mmHg
• Flash Point: 337.6°C
• PSA: 74.72000
• Density: 1.243g/cm³
• LogP: 5.37460
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 453.15762283
• Heavy Atom Count: 34
• Complexity: 580

Purity/Quality:

BIS-(PHENYLMETHYL)-4-(PHENYLMETHOXY)-2,6-PYRIDINEDICARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC(=NC(=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Technology Process of Bis(phenylmethyl) 4-(phenylmethoxy)-2,6-pyridinedicarboxylate

There total 4 articles about Bis(phenylmethyl) 4-(phenylmethoxy)-2,6-pyridinedicarboxylate 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: 82.0%

Chelidamic acid (499-51-4) + 1-phenyl-2-bromoethane (103-63-9) → dibenzyl 4-(benzyloxy)-2,6-pyridinedicarboxylate (99097-41-3)

Guidance literature:

With potassium carbonate; In acetone; at 70 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c7cc09200h

Reference yield: 71.0%

benzyl bromide (100-39-0) + chelidamic acid (138-60-3) → dibenzyl 4-(benzyloxy)-2,6-pyridinedicarboxylate (99097-41-3)

Guidance literature:

With potassium carbonate; In acetone; Heating;

DOI:10.1002/(SICI)1521-3773(19990712)38:13/14<1993::AID-ANIE1993>3.0.CO;2-H

Reference yield: 50.0%

4-chloropyridine-2,6-dicarbonyl dichloride (71022-75-8) + sodium phenyl-methanolate (20194-18-7) → dibenzyl 4-(benzyloxy)-2,6-pyridinedicarboxylate (99097-41-3)

Guidance literature:

In benzyl alcohol; at 70 ℃; for 12h;

DOI:10.1021/jo00224a043

upstream raw materials:

4-chloropyridine-2,6-dicarbonyl dichloride

sodium phenyl-methanolate

dimethyl 4-chloro-2,6-pyridinedicarboxylate

benzyl bromide

Downstream raw materials:

4-benzyloxypyridine-2,6-dicarboxylic dimethyl ester

4?benzyloxy?2,6?diaminopyridine

4-Benzyloxy-2,6-bis(N-tert-butoxycarbonyl-L-phenylalaninylamino)pyridine

di-tert-butyl(4-(benzyloxy)pyridine-2,6-diyl)bis(tert-butoxycarbonylcarbamate)