(S)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline

Catalog Number	ACM148461169-1
CAS	148461-16-9
Structure
Synonyms	(4S)-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
Molecular Weight	387.45
Molecular Formula	C25H26NOP
InChI	DMOLTNKQLUAXPI-HSZRJFAPSA-N
InChI Key	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
Boiling Point	498.9±28.0 °C(Predicted)
Melting Point	111-116 °C
Purity	97%
Appearance	Solid
Isomeric SMILES	CC(C)(C)[C@H]1COC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4
pKa	4.44±0.70(Predicted)

Q&A

What is the CAS number for (S)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline?

CAS number = 148461-16-9

What is the molecular formula of (S)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline?

Molecular Formula = C25H26NOP

What is the molecular weight of (S)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline?

Molecular Weight = 387.5g/mol

What is the exact mass of (S)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline?

Exact Mass = 387.175201451

How many computed properties are listed for (S)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline?

There are 14 computed properties listed for (S)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline.

What is the Canonical SMILES of (S)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline?

Canonical SMILES = CC(C)(C)C1COC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4

What is the InChIKey of (S)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline?

InChIKey = DMOLTNKQLUAXPI-HSZRJFAPSA-N

What is the IUPAC name of (S)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline?

IUPAC Name = [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane

How many hydrogen bond acceptor counts does (S)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline have?

Hydrogen Bond Acceptor Count = 2

What are some other synonyms for (S)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline?

Some other synonyms for (S)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline include (S)-t-BuPHOX, (S)-tBu-Phox, and [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane.