XPhos Pd G1

• CAS: 1028206-56-5
• Catalog Number: ACM1028206565
• Category: Palladium series catalysts
• Molecular Weight: 738.774g/mol
• Molecular Formula: C41H59ClNPPd
• Synonyms: (2-Dicyclohexylphosphino-2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-triisopropyl-1,1 inverted exclamation marka-biphenyl)[2-(2-aminoethyl)phenyl)]palladium(II) chloride; XPhos precatalyst; J-520016; Chloro(2-dicyclohexylphosphino-2',4',6'-triisopropyl-1,1'-biphenyl)[2-(2-aminoethyl)phenyl)]palladium(ii); BP-21201; Chloro(2-dicyclohexylphosphino-2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-triisopropyl-1,1 inverted exclamation marka-biphenyl)[2-(2-aminoethyl)phenyl)]palladium(II); (XPhos) palladium(II) phenethylamine chloride
• IUPAC Name: chloropalladium(1+);dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-phenylethanamine
• Canonical SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C.C1=CC=C([C-]=C1)CCN.Cl[Pd+]
• InChI: InChI=1S/C33H49P.C8H10N.ClH.Pd/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;9-7-6-8-4-2-1-3-5-8;;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;1-4H,6-7,9H2;1H;/q;-1;;+2/p-1
• InChI Key: NMMPMZWIIQCZBA-UHFFFAOYSA-M
• Application: Catalyst for cross-coupling reactions of electron-deficient anilines with aryl chlorides.; ; Catalyst for rapid C-N bond-forming process at low catalyst loading.; ; Catalyst for C-N cross-coupling reactions, at or below room temperature.; ; Catalyst for the synthesis of tetracyclic indoles via intermolecular α-arylation of ketones.; ; Catalyst for the cross-coupling of benzyl chlorides with cyclopropanol-derived ketone homoenolates
• Complexity: 718
• Covalently-Bonded Unit Count: 3
• Exact Mass: 737.311g/mol
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 45
• Monoisotopic Mass: 737.311g/mol
• Rotatable Bond Count: 9
• Topological Polar Surface Area: 26A^2

Custom Q&A

What is the molecular formula of XPhos Pd G1?

XPhos Pd G1 has a molecular formula of C41H59ClNPPd.

When was XPhos Pd G1 created and modified?

XPhos Pd G1 was created on September 8, 2008, and last modified on December 30, 2023.

What is the molecular weight of XPhos Pd G1?

The molecular weight of XPhos Pd G1 is 738.8 g/mol.

What are the synonyms of XPhos Pd G1?

Some synonyms of XPhos Pd G1 include:
XPhosPdG1
(SP-4-4)-[2-[2-(Amino-kappaN)ethyl]phenyl-kappaC]chloro[dicyclohexyl[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine]palladium
(2-DICYCLOHEXYLPHOSPHINO-2',4',6'-TRIISOPROPYL-1,1'-BIPHENYL)[2-(2-AMINOETHYL)PHENYL]PALLADIUM(II) CHLORIDE

What is the IUPAC name of XPhos Pd G1?

The IUPAC name of XPhos Pd G1 is chloropalladium(1+);dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-phenylethanamine.

What is the InChIKey of XPhos Pd G1?

The InChIKey of XPhos Pd G1 is NMMPMZWIIQCZBA-UHFFFAOYSA-M.

What is the CAS number of XPhos Pd G1?

XPhos Pd G1 has a CAS number of 1028206-56-5.

How many hydrogen bond donor counts does XPhos Pd G1 have?

XPhos Pd G1 has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does XPhos Pd G1 have?

XPhos Pd G1 has 2 hydrogen bond acceptor counts.

How many heavy atoms are present in XPhos Pd G1?

XPhos Pd G1 has a total of 45 heavy atoms.

When was XPhos Pd G1 created and last modified?

XPhos Pd G1 was created on September 8, 2008, and last modified on December 30, 2023.

What are some synonyms for XPhos Pd G1?

Some synonyms for XPhos Pd G1 include 1028206-56-5, XPhosPdG1, and (SP-4-4)-[2-[2-(Amino-kappaN)ethyl]phenyl-kappaC]chloro[dicyclohexyl[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine]palladium.

What are the component compounds of XPhos Pd G1?

The component compounds of XPhos Pd G1 include Phenethylamine, Chloropalladium(1+), and X-Phos.

What is the Canonical SMILES representation of XPhos Pd G1?

The Canonical SMILES representation of XPhos Pd G1 is CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C.C1=CC=C([C-]=C1)CCN.Cl[Pd+].

What are some computed properties of XPhos Pd G1?

Some computed properties of XPhos Pd G1 include hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, and topological polar surface area.