(R)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline

Base Information

• Chemical Name: (R)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline
• CAS No.: 167171-03-1
• Molecular Formula: C27H22 N O P
• Molecular Weight: 407.452
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID20431352
• Nikkaji Number: J1.150.532E
• Wikidata: Q82245203
• Mol file: 167171-03-1.mol

Synonyms:167171-03-1;(R)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline;(R)-Ph-Phox;Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)-;(R)-2-(2-(Diphenylphosphino)phenyl)-4-phenyl-4,5-dihydrooxazole;(R)-2-(2-(Diphenylphosphino)phenyl)-4,5-dihydro-4-phenyloxazole;diphenyl-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;SCHEMBL2367533;EX-A7846X;DTXSID20431352;OKUTYUNUKKPYJS-VWLOTQADSA-N;MFCD01863025;AKOS025294683;AS-72611;CS-0086116;D74609;A926741;J-010342;2-[2-(Diphenylphosphino)phenyl]-4alpha-phenyl-2-oxazoline;(4R)-2-[2-(DIPHENYLPHOSPHANYL)PHENYL]-4-PHENYL-4,5-DIHYDRO-1,3-OXAZOLE;(R)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline, >=97.0% (31P-NMR)

Chemical Property of (R)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 555.707°C at 760 mmHg
• PKA: 3.60±0.70(Predicted)
• Flash Point: 289.881°C
• PSA: 35.18000
• LogP: 4.39850
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 407.143901323
• Heavy Atom Count: 30
• Complexity: 541

Purity/Quality:

97% ^*data from raw suppliers

(R)-2-(2-(Diphenylphosphino)phenyl)-4-phenyl-4,5-dihydrooxazole 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C(N=C(O1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
• Isomeric SMILES: C1[C@H](N=C(O1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Technology Process of (R)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline

There total 11 articles about (R)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-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: 75.0%

potassium diphenylphosphine (15475-27-1,4346-39-8) + (4R)-2-(2-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole (179116-98-4) → (4R)-2-[2-(diphenylphosphino)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole (167171-03-1)

Guidance literature:

In tetrahydrofuran;

DOI:10.1016/j.jorganchem.2008.06.031

Reference yield: 34.0%

diphenylphosphane (829-85-6) + (4R)-2-(2-bromophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole (153233-81-9,191330-82-2) → (4R)-2-[2-(diphenylphosphino)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole (167171-03-1)

Guidance literature:

diphenylphosphane; With copper(l) iodide; In toluene; at 20 ℃; for 0.166667h;

With N,N`-dimethylethylenediamine; In toluene; for 0.166667h;

(4R)-2-(2-bromophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole; With caesium carbonate; In toluene; at 110 ℃; for 6h;

DOI:10.1002/chem.201904379

Reference yield:

D-2-phenylglycinol (56613-80-0) → (4R)-2-[2-(diphenylphosphino)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole (167171-03-1)

Guidance literature:

DOI:10.1016/j.tetasy.2004.06.052

upstream raw materials:

diphenylphosphane

(4R)-2-(2-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole

potassium diphenylphosphine

D-2-phenylglycinol