Di(1-adamantyl)-2-dimethylaminophenylphosphine

• CAS: 1219080-77-9
• Catalog Number: ACM1219080779-1
• Category: Other Products
• Molecular Weight: 421.60
• Molecular Formula: C28H40NP
• Synonyms: 2-[Bis(tricyclo[3.3.1.13,7]dec-1-yl)phosphino]-N,N-dimethylbenzeneamine; 2-(Di-1-adamantylphosphino)-N,N-dimethylaniline; Me-Dalphos
• IUPAC Name: 2-[bis(1-adamantyl)phosphanyl]-N,N-dimethylaniline
• Canonical SMILES: CN(C)C1=CC=CC=C1P(C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6
• InChI: MILNYLCUWRWYBI-UHFFFAOYSA-N
• InChI Key: InChI=1S/C28H40NP/c1-29(2)25-5-3-4-6-26(25)30(27-13-19-7-20(14-27)9-21(8-19)15-27)28-16-22-10-23(17-28)12-24(11-22)18-28/h3-6,19-24H,7-18H2,1-2H3
• Melting Point: 237-242 °C
• Appearance: Solid
• Application: Versatile ligand for the palladium-catalyzed amination of aryl and heteroaryl chlorides with primary aryl and alkylamines, cyclic and acyclic amines, lithium amide, N-H imines, hydrazones and ammonia.
• Complexity: 556
• Covalently-Bonded Unit Count: 1
• Exact Mass: 421.29g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 30
• Isomeric SMILES: CN(C)C1=CC=CC=C1P(C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6
• Monoisotopic Mass: 421.29g/mol
• pKa: 4.67±0.18(Predicted)
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 3.2A^2

Custom Q&A

What is the CAS number of Di(1-adamantyl)-2-dimethylaminophenylphosphine?

The CAS number is 1219080-77-9.

What is the molecular formula of Di(1-adamantyl)-2-dimethylaminophenylphosphine?

The molecular formula is C28H40NP.

What is the molecular weight of Di(1-adamantyl)-2-dimethylaminophenylphosphine?

The molecular weight is 421.6g/mol.

What is the Canonical SMILES of Di(1-adamantyl)-2-dimethylaminophenylphosphine?

The Canonical SMILES is CN(C)C1=CC=CC=C1P(C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6

How many covalently-bonded units are there in Di(1-adamantyl)-2-dimethylaminophenylphosphine?

There is 1 covalently-bonded unit.

What is the XLogP3 value of Di(1-adamantyl)-2-dimethylaminophenylphosphine?

The XLogP3 value is 7.

What is the InChIKey of Di(1-adamantyl)-2-dimethylaminophenylphosphine?

The InChIKey is MILNYLCUWRWYBI-UHFFFAOYSA-N.

What are some depositor-supplied synonyms of Di(1-adamantyl)-2-dimethylaminophenylphosphine?

Some synonyms include 2-(Di(adamantan-1-yl)phosphino)-N,N-dimethylaniline, 2-(Di-1-adamantylphosphino) dimethylaminobenzene, and more.

How many heavy atoms are there in Di(1-adamantyl)-2-dimethylaminophenylphosphine?

There are 30 heavy atoms.

What is the topological polar surface area of Di(1-adamantyl)-2-dimethylaminophenylphosphine?

The topological polar surface area is 3.2.