2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine

Base Information

• Chemical Name: 2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine
• CAS No.: 151670-69-8
• Molecular Formula: C25H23N3O2
• Molecular Weight: 397.46900
• Hs Code.: 29349990
• European Community (EC) Number: 970-751-5
• Nikkaji Number: J699.285D
• Mol file: 151670-69-8.mol

Synonyms:151670-69-8;2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine;2,6-Bis((S)-4-benzyl-4,5-dihydrooxazol-2-yl)pyridine;(4S)-4-benzyl-2-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole;2,6-BIS[(4S)-4-BENZYL-4,5-DIHYDRO-1,3-OXAZOL-2-YL]PYRIDINE;MFCD23704921;(S,S)-Bn-Pybox;SCHEMBL14154786;BGA67069;AKOS022184755;AS-66281;CS-0064046;A12079;2 pound not6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine;2,6-Bis[(S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine

Chemical Property of 2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine

Chemical Property:

• Boiling Point: 604.1±40.0 °C(Predicted)
• PKA: 3.85±0.70(Predicted)
• PSA: 56.07000
• Density: 1.24±0.1 g/cm3(Predicted)
• LogP: 2.72900
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 397.17902698
• Heavy Atom Count: 30
• Complexity: 570

Purity/Quality:

98.5% ^*data from raw suppliers

2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine, min. 98% ^*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=NC(=CC=C2)C3=NC(CO3)CC4=CC=CC=C4)CC5=CC=CC=C5
• Isomeric SMILES: C1[C@@H](N=C(O1)C2=NC(=CC=C2)C3=N[C@H](CO3)CC4=CC=CC=C4)CC5=CC=CC=C5

Technology Process of 2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine

There total 9 articles about 2,6-Bis[(4S)-benzyl-2-oxazolin-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: 95.0%

N2,N6-bis[(S)-1-chloro-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide (695228-49-0) → 2,6-bis<(S)-4'-benzyloxazolin-2'-yl>pyridine (151670-69-8,365215-38-9)

Guidance literature:

With potassium hydroxide; In methanol; for 4h; Reflux;

DOI:10.1002/ejic.201300107

Reference yield: 30.0%

2,6-Dibromopyridine (626-05-1) + (4S)-4-benzyl-4,5-dihydro-1,3-oxazole (75866-71-6) → 2,6-bis<(S)-4'-benzyloxazolin-2'-yl>pyridine (151670-69-8,365215-38-9)

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

Reference yield:

2,6-Pyridinedicarbonyl dichloride (3739-94-4) + (S)-2-Amino-1-benzylethanol (133522-38-0) → 2,6-bis<(S)-4'-benzyloxazolin-2'-yl>pyridine (151670-69-8,365215-38-9)

Guidance literature:

2,6-Pyridinedicarbonyl dichloride; (S)-2-Amino-1-benzylethanol; With potassium hydrogencarbonate; In Isopropyl acetate; at 80 ℃;

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

DOI:10.1021/ol005721h

upstream raw materials:

2,6-Pyridinedicarbonyl dichloride

L-Phenylalaninol

pyridine-2,6-dicarboximidic acid dimethyl ester

(S)-2-Amino-1-benzylethanol

Refernces

• 1、 Zhao, Song,Zhang, Xulong,Zhang, Yuwei,Yang, Huanhuan,Huang, Yan,Zhang, Kui,Du, Ting. "A Ce(OTf)3/PyBox catalyzed enantioselective Hosomi-Sakurai reaction of aldehydes with allyltrimethylsilane". . p. 7734 - 7737. Retrieved 2015/10/12.
• 2、 Zhu, Yuan-Yuan,Cui, Chang,Li, Ning,Wang, Bing-Wu,Wang, Zhe-Ming,Gao, Song. "Constructing a series of azide-bridged CuII magnetic low-dimensional coordination polymers by using pybox ligands". . p. 3101 - 3111. Retrieved 2013/07/27.