2-(Di-tert-butylphosphino)-2'-(N,N-dimethylamino)biphenyl

Catalog Number	ACM224311493-1
CAS	224311-49-3
Structure
Synonyms	2'-[Bis(1,1-Dimethylethyl)Phosphino]-N,N-Dimethyl-[1,1'-Biphenyl]-2-Amine
IUPAC Name	2-(2-ditert-butylphosphanylphenyl)-N,N-dimethylaniline
Molecular Weight	341.47
Molecular Formula	C22H32NP
InChI	PHLPNEHPCYZBNZ-UHFFFAOYSA-N
InChI Key	InChI=1S/C22H32NP/c1-21(2,3)24(22(4,5)6)20-16-12-10-14-18(20)17-13-9-11-15-19(17)23(7)8/h9-16H,1-8H3
Boiling Point	451.6±38.0 °C(Predicted)
Melting Point	115-117 °C
Purity	98%
Appearance	Solid
Isomeric SMILES	CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2N(C)C)C(C)(C)C
pKa	5.07±0.18(Predicted)

Q&A

What is the CAS number for the compound 2-(Di-tert-butylphosphino)-2'-(N,N-dimethylamino)biphenyl?

The CAS number is 224311-49-3.

What is the Canonical SMILES for the compound?

CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2N(C)C)C(C)(C)C

How many heavy atoms are present in the compound?

There are 24 heavy atoms.

What is the molecular formula of 2-(Di-tert-butylphosphino)-2'-(N,N-dimethylamino)biphenyl?

The molecular formula is C22H32NP.

What is the IUPAC name for the compound?

The IUPAC name is 2-(2-ditert-butylphosphanylphenyl)-N,N-dimethylaniline.

What is the molecular weight of the compound?

The molecular weight is 341.5g/mol.

How many rotatable bonds are present in the compound?

There are 5 rotatable bonds.

What is the XLogP3 value for the compound?

The XLogP3 value is 5.2.

What is the InChIKey for 2-(Di-tert-butylphosphino)-2'-(N,N-dimethylamino)biphenyl?

The InChIKey is PHLPNEHPCYZBNZ-UHFFFAOYSA-N.

What are some of the other names or synonyms for the compound?

Some other names include t-BuDavePhos, 2-(2-ditert-butylphosphanylphenyl)-N,N-dimethyl-aniline, and [2'-(di-t-butylphosphino)biphenyl-2-yl]dimethylamine.