2,6-Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)pyridine

Base Information

• Chemical Name: 2,6-Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)pyridine
• CAS No.: 118949-63-6
• Molecular Formula: C19H27N3O2
• Molecular Weight: 329.44
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20357346
• Nikkaji Number: J699.284F
• Wikidata: Q72446949
• Mol file: 118949-63-6.mol

Synonyms:118949-63-6;2,6-Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)pyridine;2,6-BIS[(4S)-4-TERT-BUTYL-2-OXAZOLIN-2YL]PYRIDINE;(4S)-4-tert-butyl-2-[6-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole;C19H27N3O2;2,6-BIS[(4S)-4-TERT-BUTYLOXAZOLIN-2-YL]PYRIDINE;(S,S)-tBu-Pybox;SCHEMBL14154783;DTXSID20357346;MFCD07368372;AKOS016842863;DS-14856;CS-0086523;C71613;2,6-bis((S)-4-tert-butyl-4,5-dihydrooxazol-2-yl)pyridine;2,6-Bis(4S)(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine;2,6-Bis[(4S)-4-(2-methyl-2-propanyl)-4,5-dihydro-1,3-oxazol-2-yl]pyridine

Chemical Property of 2,6-Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)pyridine

Chemical Property:

• Appearance/Colour: Light yellow liquid
• Vapor Pressure: 1.87E-08mmHg at 25°C
• Refractive Index: 1.575
• Boiling Point: 467.131 °C at 760 mmHg
• PKA: 3.91±0.70(Predicted)
• Flash Point: 236.313 °C
• PSA: 56.07000
• Density: 1.154 g/cm³
• LogP: 2.33580
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 329.21032711
• Heavy Atom Count: 24
• Complexity: 482

Purity/Quality:

97% ^*data from raw suppliers

2,6-Bis[(4S)-4-tert-butyloxazolin-2-yl]pyridine, 98%, (99% ee) (99% ee) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1COC(=N1)C2=NC(=CC=C2)C3=NC(CO3)C(C)(C)C
• Isomeric SMILES: CC(C)(C)[C@H]1COC(=N1)C2=NC(=CC=C2)C3=N[C@H](CO3)C(C)(C)C

Technology Process of 2,6-Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)pyridine

There total 6 articles about 2,6-Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-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: 98.0%

pyridine-2,6-dinitrile (2893-33-6) + (S)-tert-leucinol (112245-13-3) → 2,6-bis[4'-(S)-(tert-butyl)oxazolin-2'-yl]pyridine (118949-63-6,185346-17-2)

Guidance literature:

With zinc trifluoromethanesulfonate; In toluene; for 48h; Reflux;

DOI:10.1002/anie.201611067

Reference yield: 75.0%

2,6-Pyridinedicarbonyl dichloride (3739-94-4) + (S)-tert-leucinol (112245-13-3) → 2,6-bis[4'-(S)-(tert-butyl)oxazolin-2'-yl]pyridine (118949-63-6,185346-17-2)

Guidance literature:

2,6-Pyridinedicarbonyl dichloride; (S)-tert-leucinol; With potassium hydrogencarbonate; In Isopropyl acetate; at 80 ℃; for 2h;

With boron trifluoride diethyl etherate; at 125 ℃; for 2h; Further stages.;

DOI:10.1021/ol005721h

Reference yield: 51.0%

N2,N6-bis((S)-1-hydroxy-3,3-dimethyl-2-butanyl)pyridine-2,6-dicarboxamide → 2,6-bis[4'-(S)-(tert-butyl)oxazolin-2'-yl]pyridine (118949-63-6,185346-17-2)

Guidance literature:

N²,N⁶-bis((S)-1-hydroxy-3,3-dimethyl-2-butanyl)pyridine-2,6-dicarboxamide; With thionyl chloride; Heating;

With sodium hydroxide; In methanol; at 20 ℃; for 72h;

DOI:10.1016/j.tetlet.2004.10.047

upstream raw materials:

pyridine-2,6-dinitrile

(S)-tert-leucinol

2,6-Pyridinedicarbonyl dichloride

Pyridine-2,6-dicarboxylic acid