(4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)

Catalog Number	ACM131457460-1
CAS	131457-46-0
Structure
Synonyms	(S,S)-ph-box; (S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
IUPAC Name	(4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
Molecular Weight	334.41
Molecular Formula	C21H22N2O2
Canonical SMILES	CC(C)(C1=NC(CO1)C2=CC=CC=C2)C3=NC(CO3)C4=CC=CC=C4
InChI	JTNVCJCSECAMLD-QZTJIDSGSA-N
InChI Key	InChI=1S/C21H22N2O2/c1-21(2,19-22-17(13-24-19)15-9-5-3-6-10-15)20-23-18(14-25-20)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1
Boiling Point	193 °C at 0.03 mmHg-lit.
Melting Point	37-41 °C-lit.
Appearance	Viscous liquid
Exact Mass	334.168127949
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC(C)(C1=N[C@H](CO1)C2=CC=CC=C2)C3=N[C@H](CO3)C4=CC=CC=C4
Monoisotopic Mass	334.168127949
Rotatable Bond Count	4
Topological Polar Surface Area	43.2 Ų

Q&A

What is the chemical formula of (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)?

The chemical formula of (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole) is C21H22N2O2.

What is the molecular weight of (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)?

The molecular weight of (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole) is 334.41.

What is the product category to which (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole) belongs?

The compound belongs to the product categories of BOX series, Chiral Nitrogen, Asymmetric Synthesis, Synthetic Organic Chemistry, organic amine, organic building block.

What is the melting point of (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)?

The melting point of (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole) is 37-41 °C (literature value).

What is the optical activity of (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)?

The optical activity of (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole) is [α]20/D 160°, c = 1 in ethanol.

What is the boiling point of (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)?

The boiling point of (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole) is 193 °C at 0.03 mm Hg (literature value).

What kind of chemical properties does (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole) possess?

The compound is described as a clear light yellow viscous liquid.

What is the InChIKey of (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)?

The InChIKey of (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole) is JTNVCJCSECAMLD-QZTJIDSGSA-N.

What is the storage temperature recommended for (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)?

The recommended storage temperature for (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole) is -20°C.

What is the main use of (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)?

The compound is used as a C2 symmetric ligand for enantioselective catalysis. It easily forms bidentate coordination complexes due to the strong affinity of the oxazoline nitrogen for various metals.