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148461-16-9 | (S)-4-(tert-Butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole
CAS No: 148461-16-9 Catalog No: AG003CMP MDL No:MFCD09998277
Product Description
Catalog Number:
AG003CMP
Chemical Name:
(S)-4-(tert-Butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole
CAS Number:
148461-16-9
Molecular Formula:
C25H26NOP
Molecular Weight:
387.4538
MDL Number:
MFCD09998277
IUPAC Name:
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
InChI:
InChI=1S/C25H26NOP/c1-25(2,3)23-18-27-24(26-23)21-16-10-11-17-22(21)28(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,23H,18H2,1-3H3/t23-/m1/s1
InChI Key:
DMOLTNKQLUAXPI-HSZRJFAPSA-N
SMILES:
CC([C@H]1COC(=N1)c1ccccc1P(c1ccccc1)c1ccccc1)(C)C
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
387.175g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.463g/mol
Monoisotopic Mass:
387.175g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Literature
| Title | Journal |
|---|---|
| Enantioselective construction of quaternary N-heterocycles by palladium-catalysed decarboxylative allylic alkylation of lactams. | Nature chemistry 20120201 |
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