AG003CMP

148461-16-9 | (S)-4-tert-Butyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole

AG003CMP

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CAS Number	148461-16-9
Catalog Number	AG003CMP(AGN-PC-0Q1VS7)
Chemical Name	(S)-4-tert-Butyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole
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
MDL Number	MFCD09998277
Molecular Formula	C25H26NOP
Molecular Weight	387.4538
SMILES	CC([C@@H]1N=C(C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)OC1)(C)C
Synonyms	148461-16-9, (S)-4-(tert-Butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole, (S)-4-TERT-BUTYL-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-2-OXAZOLINE, (S)-4-tert-Butyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole, (4S)-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-4,5-dihydrooxazole, (S)-t-BuPHOX, SCHEMBL1111225, CTK4C5812, KS-00001FWB, DTXSID70433043, MFCD09998277, ZINC59152869, AKOS016845941, RT-005743, CS-0029503, A-3427, J-008473, 2-[2-(Diphenylphosphino)phenyl]-4beta-tert-butyl-2-oxazoline, (S)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline, 97%, (4S)-4-(1,1-Dimethylethyl)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydrooxazole, (4S)-4-tert-Butyl-2-[2-(diphenylphosphanyl)phenyl]-4,5-dihydro-1,3-oxazole, Oxazole,4-(1,1-dimethylethyl)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-, (4S)-, DMOLTNKQLUAXPI-HSZRJFAPSA-N, CID9937955, -tert-Butyl-2-[2- phenyl]-4,5-dihydrooxazole, (S)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline, 97% - 100MG 100mg, Diphenyl-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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