(S)-(+)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline

Base Information

• Chemical Name: (S)-(+)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline
• CAS No.: 148461-15-8
• Molecular Formula: C27H22 N O P
• Molecular Weight: 407.452
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID30453666
• Nikkaji Number: J601.287F
• Wikidata: Q82274865
• Mol file: 148461-15-8.mol

Synonyms:148461-15-8;(S)-(+)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline;(S)-2-(2-(diphenylphosphino)phenyl)-4-phenyl-4,5-dihydrooxazole;diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;(S)-Ph-Phox;SCHEMBL13240519;DTXSID30453666;OKUTYUNUKKPYJS-RUZDIDTESA-N;YFA46115;MFCD01863026;S(+)-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-4-PHENYL-2-OXAZOLINE;AKOS025294545;AS-70965;CS-0030383;J-008472;2-[2-(Diphenylphosphino)phenyl]4beta-phenyl-2-oxazoline;(4S)-2-[2-(DIPHENYLPHOSPHANYL)PHENYL]-4-PHENYL-4,5-DIHYDRO-1,3-OXAZOLE;(S)-(+)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline, >=97.0% (31P-NMR)

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 89-93 °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

(S)-(+)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

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 (S)-(+)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline

There total 18 articles about (S)-(+)-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: 84.0%

(4S)-2-(2-fluorophenyl)-4-phenyl-1,3-oxazoline (150255-48-4) + potassium diphenylphosphine (15475-27-1,4346-39-8) → (S)-(+)-2-[2-(diphenylphosphino)phenyl]-4-phenyl-4,5-dihydrooxazole (148461-15-8)

Guidance literature:

In tetrahydrofuran; Heating;

DOI:10.1016/S0040-4039(00)93403-8

Reference yield: 64.5%

2-(diphenylphosphanyl)benzonitrile (34825-99-5) + (2S)-2-phenylglycinol (20989-17-7) → (S)-(+)-2-[2-(diphenylphosphino)phenyl]-4-phenyl-4,5-dihydrooxazole (148461-15-8)

Guidance literature:

With zinc(II) chloride;

DOI:10.1002/hlca.19970800211

Reference yield:

(S)-(+)-2-[2-(diphenylphosphino)phenyl]-4-phenyl-4,5-dihydrooxazole-diborane complex → (S)-(+)-2-[2-(diphenylphosphino)phenyl]-4-phenyl-4,5-dihydrooxazole (148461-15-8)

Guidance literature:

With piperazinomethyl polystyrene resin; In tetrahydrofuran; at 60 ℃; for 4.5h;

DOI:10.1055/s-2006-950439

upstream raw materials:

(4S)-2-(2-fluorophenyl)-4-phenyl-1,3-oxazoline

potassium diphenylphosphine

2-(diphenylphosphanyl)benzonitrile

(2S)-2-phenylglycinol