2,2'-Bis[(4S)-4-benzyl-2-oxazoline]

Base Information

• Chemical Name: 2,2'-Bis[(4S)-4-benzyl-2-oxazoline]
• CAS No.: 133463-88-4
• Molecular Formula: C20H20N2O2
• Molecular Weight: 320.391
• European Community (EC) Number: 623-972-3
• DSSTox Substance ID: DTXSID40351321
• Nikkaji Number: J888.606G
• Wikidata: Q82127648
• Mol file: 133463-88-4.mol

Synonyms:2,2'-Bis[(4S)-4-benzyl-2-oxazoline];133463-88-4;(4S,4'S)-4,4'-dibenzyl-4,4',5,5'-tetrahydro-2,2'-bioxazole;(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole;2,2/'-BIS[(4S)-4-BENZYL-2-OXAZOLINE];AC1LF4QF;(S,S)-Bn-Bisbox;SCHEMBL12786229;DTXSID40351321;MFCD00191793;AKOS015913346;CS-16144;(S,S)-2,2'-Bis(4-benzyl-2-oxazoline);CS-0090557;D74930;(S,S)-4,4'-Dibenzyl-2,2'-bi(2-oxazoline);(4S,4'S)-4,4'-Dibenzyl-2,2'-bis(oxazoline);2,2'-Bis[(4S)-4-benzyl-2-oxazoline], 98%;J-006386

Chemical Property of 2,2'-Bis[(4S)-4-benzyl-2-oxazoline]

Chemical Property:

• Melting Point: 129-132 °C(lit.)
• Boiling Point: 449.3±28.0 °C(Predicted)
• PKA: 3.89±0.70(Predicted)
• Flash Point: 181.3oC
• PSA: 43.18000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 1.93760
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 320.152477885
• Heavy Atom Count: 24
• Complexity: 432

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2′-Bis[(4S)-4-benzyl-2-oxazoline] 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N=C(O1)C2=NC(CO2)CC3=CC=CC=C3)CC4=CC=CC=C4
• Isomeric SMILES: C1[C@@H](N=C(O1)C2=N[C@H](CO2)CC3=CC=CC=C3)CC4=CC=CC=C4
• Uses: 2,2′-Bis[(4S)-4-benzyl-2-oxazoline] can be used as:A catalyst for the enantioselective hydrosilylation of ketones.A Schiff base ligand in the preparation of rhodium(I) and palladium(II) coordination complexes.A ligand in the formation of copper(I) halide complexes; applicable in the synthesis of coordination polymers.

Technology Process of 2,2'-Bis[(4S)-4-benzyl-2-oxazoline]

There total 7 articles about 2,2'-Bis[(4S)-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: 88.0%

(S)-N,N'-bis<1-(chloromethyl)-2-phenylethyl>ethanediamide (133485-45-7) → (S,S)-4,4'-bis(phenylmethyl)-2,2',5,5'-tetrahydro-2,2'-bioxazole (133463-88-4)

Guidance literature:

With potassium hydroxide; In methanol; for 3h; Heating;

DOI:10.1021/jo9702397

Reference yield: 72.0%

N,N-bis[1-(chloromethyl)-2-phenylethyl]ethanediamide → (S,S)-4,4'-bis(phenylmethyl)-2,2',5,5'-tetrahydro-2,2'-bioxazole (133463-88-4) + (R,R)-4,4'-bis(phenylmethyl)-2,2',5,5'-tetrahydro-2,2'-bioxazole (141362-76-7) + (R,S)-4,4'-bis(phenylmethyl)-2,2',5,5'-tetrahydro-2,2'-bioxazole (262439-01-0)

Guidance literature:

With potassium hydroxide; In methanol; for 3h; Heating;

DOI:10.1016/j.jorganchem.2005.01.063

Reference yield:

(S)-N,N'-bis<1-(hydroxymethyl)-2-phenylethyl>ethanediamide (19071-60-4,133464-01-4) → (S,S)-4,4'-bis(phenylmethyl)-2,2',5,5'-tetrahydro-2,2'-bioxazole (133463-88-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / SOCl₂ / toluene / 1.) 60 - 70 deg C, 1 h, 2.) 90 deg C, 4 h.

2: 88 percent / KOH / methanol / 3 h / Heating

With potassium hydroxide; thionyl chloride; In methanol; toluene;

DOI:10.1021/jo9702397

upstream raw materials:

(S)-N,N'-bis<1-(chloromethyl)-2-phenylethyl>ethanediamide

(R)-2-amino-3-phenylpropanol

L-Phenylalaninol

(S)-N,N'-bis<1-(hydroxymethyl)-2-phenylethyl>ethanediamide

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