(S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole

Catalog Number	ACM148461147-1
CAS	148461-14-7
Structure
Synonyms	(S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-isopropyl-2-oxazoline
IUPAC Name	diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
Molecular Weight	373.43
Molecular Formula	C24H24NOP
InChI	OUQSAXROROGQEE-JOCHJYFZSA-N
InChI Key	InChI=1S/C24H24NOP/c1-18(2)22-17-26-24(25-22)21-15-9-10-16-23(21)27(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,22H,17H2,1-2H3/t22-/m1/s1
Boiling Point	492.7±28.0 °C(Predicted)
Melting Point	85-90 °C
Purity	98%
Appearance	Solid
Isomeric SMILES	CC(C)[C@H]1COC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4
pKa	4.31±0.70(Predicted)

Q&A

What is the IUPAC name of (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole?

The IUPAC name of (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole is diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane.

What is the molecular weight of (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole?

The molecular weight of (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole is 373.4g/mol.

How many hydrogen bond acceptor count does (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole have?

The compound has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole?

The topological polar surface area of (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole is 21.6.

What is the canonical SMILES of (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole?

The canonical SMILES of (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole is CC(C)C1COC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4.

What is the monoistopic mass of (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole?

The monoistopic mass of (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole is 373.159551387.

How many heavy atoms does (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole contain?

The compound contains 27 heavy atoms.

What is the CAS number of (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole?

The CAS number of (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole is 148461-14-7.

What is the XLogP3 value of (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole?

The XLogP3 value of (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole is 5.5.