2,6-Bis[5,5-diphenyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazol-2-yl]pyridine

Base Information

• Chemical Name: 2,6-Bis[5,5-diphenyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazol-2-yl]pyridine
• CAS No.: 162213-03-8
• Molecular Formula: C41H39N3O2
• Molecular Weight: 605.77
• Hs Code.: 29333990
• DSSTox Substance ID: DTXSID00703105
• Mol file: 162213-03-8.mol

Synonyms:SCHEMBL23883199;DTXSID00703105;2,6-Bis[5,5-diphenyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazol-2-yl]pyridine

Chemical Property of 2,6-Bis[5,5-diphenyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazol-2-yl]pyridine

Chemical Property:

• Appearance/Colour: Light yellow liquid
• Melting Point: 65-66 °C
• Boiling Point: 739.266 °C at 760 mmHg
• PKA: 2.75±0.70(Predicted)
• Flash Point: 400.894 °C
• PSA: 56.07000
• Density: 1.152 g/cm³
• LogP: 7.44320
• XLogP3: 9.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 605.30422750
• Heavy Atom Count: 46
• Complexity: 940

Purity/Quality:

99% ^*data from raw suppliers

2,6-bis((S)-4-isopropyl-5,5-diphenyl-4,5-dihydrooxazol-2-yl)pyridine 95% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1C(OC(=N1)C2=NC(=CC=C2)C3=NC(C(O3)(C4=CC=CC=C4)C5=CC=CC=C5)C(C)C)(C6=CC=CC=C6)C7=CC=CC=C7

Technology Process of 2,6-Bis[5,5-diphenyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazol-2-yl]pyridine

There total 6 articles about 2,6-Bis[5,5-diphenyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazol-2-yl]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: 86.0%

N,N'-bis<1'-(S)-isopropyl-2',2'-diphenyl-2'-hydroxyethyl>-2,6-pyridine dicarboxamide → 2,6-bis<5',5'-diphenyl-4'-(S)-isopropyl oxazolin-2'-yl>pyridine (162213-03-8,828918-24-7)

Guidance literature:

With methanesulfonic acid; In dichloromethane; for 6h; Reflux;

DOI:10.1039/c5nj01488c

Reference yield:

2,6-Pyridinedicarbonyl dichloride (3739-94-4) → 2,6-bis<5',5'-diphenyl-4'-(S)-isopropyl oxazolin-2'-yl>pyridine (162213-03-8,828918-24-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / triethylamine / CH₂Cl₂ / 24 h / 0 - 20 °C

2: 65 percent / methanesulfonic acid / CH₂Cl₂ / 7 h / 0 - 25 °C

With methanesulfonic acid; triethylamine; In dichloromethane;

DOI:10.1016/j.tet.2006.01.093

Reference yield:

1,1-diphenyl-L-valinol (78603-95-9) → 2,6-bis<5',5'-diphenyl-4'-(S)-isopropyl oxazolin-2'-yl>pyridine (162213-03-8,828918-24-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / triethylamine / CH₂Cl₂ / 24 h / 0 - 20 °C

2: 65 percent / methanesulfonic acid / CH₂Cl₂ / 7 h / 0 - 25 °C

With methanesulfonic acid; triethylamine; In dichloromethane;

DOI:10.1016/j.tet.2006.01.093

upstream raw materials:

2,6-Pyridinedicarbonyl dichloride

1,1-diphenyl-L-valinol

Pyridine-2,6-dicarboxylic acid

bromobenzene