2-(2-Pyridyl)-4-benzyl-2-oxazoline

Base Information

• Chemical Name: 2-(2-Pyridyl)-4-benzyl-2-oxazoline
• CAS No.: 108915-08-8
• Molecular Formula: C15H14N2O
• Molecular Weight: 238.289
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID00559063
• Nikkaji Number: J1.677.162G
• Mol file: 108915-08-8.mol

Synonyms:2-(2-Pyridyl)-4-benzyl-2-oxazoline;4-benzyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;2-[(4S)-4,5-dihydro-4-(phenylMethyl)-2-oxazolyl]- Pyridine;MFCD30187472;2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine;SCHEMBL15842376;DTXSID00559063;SY070056;(S)-4-Benzyl-2-(2-pyridyl)-4,5-dihydrooxazole;2-(4-Benzyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine

Chemical Property of 2-(2-Pyridyl)-4-benzyl-2-oxazoline

Chemical Property:

• Boiling Point: 220-230 °C(Press: 0.1 Torr)
• PKA: 3.73±0.70(Predicted)
• PSA: 34.48000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 1.90530
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 238.110613074
• Heavy Atom Count: 18
• Complexity: 297

Purity/Quality:

98.5% ^*data from raw suppliers

(S)-2-(4-Benzyl-4,5-dihydro-oxazol-2-yl)-pyridine 95% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N=C(O1)C2=CC=CC=N2)CC3=CC=CC=C3

Technology Process of 2-(2-Pyridyl)-4-benzyl-2-oxazoline

There total 7 articles about 2-(2-Pyridyl)-4-benzyl-2-oxazoline 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: 89.0%

pyridine-2-carboxylic acid amide (1452-77-3) + L-Phenylalaninol (3182-95-4) → 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine (108915-08-8,1108603-35-5)

Guidance literature:

In chloroform; at 60 ℃; for 16h;

DOI:10.1016/j.ica.2015.10.032

Reference yield: 89.0%

L-Phenylalaninol (3182-95-4) + methyl pyridine-2-imidate (19547-38-7) → 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine (108915-08-8,1108603-35-5)

Guidance literature:

In toluene; at 70 ℃; Molecular sieve;

Reference yield: 66.0%

2-chloropyridine (109-09-1) + (4S)-4-benzyl-4,5-dihydro-1,3-oxazole (75866-71-6) → 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine (108915-08-8,1108603-35-5)

Guidance literature:

With palladium diacetate; 1,2-bis-(diphenylphosphino)ethane; lithium tert-butoxide; In 1,4-dioxane; at 100 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.5b03041

upstream raw materials:

L-Phenylalaninol

methyl pyridine-2-imidate

2-Cyanopyridine

pyridine-2-carboxylic acid amide

Downstream raw materials:

2-Picolinic acid

L-Phenylalaninol