(S)-2-[2-[bis(2-tolyl)phosphino]phenyl]-4-tert-butyl-2-oxazoline

Catalog Number	ACM218460005-1
CAS	218460-00-5
Structure
Synonyms	[2-[(4S)-4-Tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane
IUPAC Name	[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane
Molecular Weight	415.51
Molecular Formula	C27H30NOP
InChI	PWDWTBOBIGNWSX-RUZDIDTESA-N
InChI Key	InChI=1S/C27H30NOP/c1-19-12-6-9-15-22(19)30(23-16-10-7-13-20(23)2)24-17-11-8-14-21(24)26-28-25(18-29-26)27(3,4)5/h6-17,25H,18H2,1-5H3/t25-/m1/s1
Melting Point	134-138 °C
Purity	98%
Isomeric SMILES	CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C4=N[C@H](CO4)C(C)(C)C

Q&A

What is the IUPAC Name of (S)-2-[2-[bis(2-tolyl)phosphino]phenyl]-4-tert-butyl-2-oxazoline?

[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane

How many hydrogen bond donor counts does (S)-2-[2-[bis(2-tolyl)phosphino]phenyl]-4-tert-butyl-2-oxazoline have?

It has 0 hydrogen bond donor counts.

What is the computed XLogP3 value for (S)-2-[2-[bis(2-tolyl)phosphino]phenyl]-4-tert-butyl-2-oxazoline?

The XLogP3 value is 6.6.

Are there any other synonyms or alternate names for (S)-2-[2-[bis(2-tolyl)phosphino]phenyl]-4-tert-butyl-2-oxazoline?

Yes, some other synonyms include: [2-[(4S)-4-Tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane, SCHEMBL13288309, CS-0202920, etc.

What is the molecular weight of (S)-2-[2-[bis(2-tolyl)phosphino]phenyl]-4-tert-butyl-2-oxazoline?

The molecular weight is 415.5g/mol.

How many heavy atoms are present in the chemical structure?

There are 30 heavy atoms present.

What is the Canonical SMILES for (S)-2-[2-[bis(2-tolyl)phosphino]phenyl]-4-tert-butyl-2-oxazoline?

CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C4=NC(CO4)C(C)(C)C

Do any of the atoms in the chemical structure have an undefined stereocenter count?

No, there are no undefined atom or bond stereocenters.