(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole

Base Information

Chemical Name:(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole
CAS No.:157904-67-1
Molecular Formula:C33H30N2O2
Molecular Weight:486.60400
Hs Code.:29349990
European Community (EC) Number:899-014-5
DSSTox Substance ID:DTXSID601138668
Nikkaji Number:J856.645C
Mol file:157904-67-1.mol

Synonyms:157904-67-1;(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole;(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole];Oxazole, 2,2'-(1-methylethylidene)bis[4,5-dihydro-4,5-diphenyl-, (4R,4'R,5S,5'S)-;(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;MFCD24849939;(4R,5S)-2-{2-[(4R,5S)-4,5-DIPHENYL-4,5-DIHYDRO-1,3-OXAZOL-2-YL]PROPAN-2-YL}-4,5-DIPHENYL-4,5-DIHYDRO-1,3-OXAZOLE;(R,S)-BisPh-propabBox;SCHEMBL248871;DTXSID601138668;AKOS037647498;AS-73863;CS-0086740;D72018;(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene, 95%;(4R,4'R,5S,5'S)-2,2'-(Propane-2,2-diyl)bis(4,5-diphenyl-4,5-dihydrooxazole);(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole], 98%, (99% ee)

Suppliers and Price of (4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Strem Chemicals
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole], 98%, (99% ee)
50mg
$ 87.00

Sigma-Aldrich
(4R,4′R,5S,5′S)-2,2′-(1-Methylethylidene 95%
250mg
$ 244.00

Frontier Specialty Chemicals
2,2-Bis[2-(4R,5S-diphenyl-1,3-oxazolinyl)]propane
50mg
$ 54.00

Ambeed
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole 98%99%ee
1g
$ 642.00

Ambeed
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole 98%99%ee
250mg
$ 217.00

Ambeed
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole 98%99%ee
100mg
$ 108.00

Ambeed
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole 98%99%ee
50mg
$ 61.00

Total 14 raw suppliers

Chemical Property of (4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole

Chemical Property:

Melting Point:164-169°C
Boiling Point:606.7±55.0 °C(Predicted)
PKA:4.33±0.70(Predicted)
PSA：43.18000
Density:1.16±0.1 g/cm3(Predicted)
LogP:6.70640
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:6.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:486.230728204
Heavy Atom Count:37
Complexity:744

Purity/Quality:

97% ^*data from raw suppliers

(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole], 98%, (99% ee) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C1=NC(C(O1)C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(C(O4)C5=CC=CC=C5)C6=CC=CC=C6
Isomeric SMILES:CC(C)(C1=N[C@@H]([C@@H](O1)C2=CC=CC=C2)C3=CC=CC=C3)C4=N[C@@H]([C@@H](O4)C5=CC=CC=C5)C6=CC=CC=C6
Uses (4R,4′R,5S,5′S)-2,2′-(1-Methylethylidene) or (4S,5R)-Bis-Phbox) can be used as a ligand:To prepare selective exo-catalysts for enantioselective 1,3-dipolar cycloaddition reactions. In the asymmetric aminooxygenation of alkenes in the presence of tetramethylaminopyridyl radical (TEMPO) as an oxidant and copper(II) triflate as a catalyst.In asymmetric aminofluorination of olefins using an iron catalyst.This chiral Box ligand was most recently shown to mediate an asymmetric aminofluorination of olefins utlizing Xtalfuor-E (719439) and TREAT-HF (344648). The resulting cyclic carbamates can be readily converted into their concomitant beta-fluoro amino acids.

Technology Process of (4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole

There total 8 articles about (4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole 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: 72.0%

: 529489-04-1,157904-67-1,183072-30-2
C₃₃H₃₀N₂O₂

Guidance literature:: With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; diisopropylamine; In tetrahydrofuran; at -20 ℃; for 1h;

In tetrahydrofuran; at -20 - 20 ℃;

Reference yield:

: C₃₃H₃₄N₂O₄

: 529489-04-1,157904-67-1,183072-30-2
C₃₃H₃₀N₂O₂

Guidance literature:: With dmap; triethylamine; p-toluenesulfonyl chloride; In dichloromethane; at 20 ℃; for 72h; Inert atmosphere;
DOI:10.1021/acs.joc.0c02556