trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II)

• CAS: 172418-32-5
• Catalog Number: ACM172418325
• Category: Palladium series catalysts
• Molecular Weight: 939.674g/mol
• Molecular Formula: C46H48O4P2Pd2-2
• Synonyms: HERRMANN'S PALLADACYCLE; I14-33199; trans-Di-|I-acetatobis[2-[bis(2-methylphenyl)phosphino]benzyl]dipalladium; CATACXIUM(R) C; Herrmann inverted exclamation markas palladacycle; trans-Bis(acetato)bis[2-[bis(2-methylphenyl)phosphino]benzyl]dipalladium(II); AKOS015908997; trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II); J-525029; Herrmann-Beller palladacycle
• IUPAC Name: acetic acid;(2-methanidylphenyl)-bis(2-methylphenyl)phosphane;palladium
• Canonical SMILES: CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3[CH2-].CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3[CH2-].CC(=O)O.CC(=O)O.[Pd].[Pd]
• InChI: InChI=1S/2C21H20P.2C2H4O2.2Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;2*1-2(3)4;;/h2*4-15H,1H2,2-3H3;2*1H3,(H,3,4);;/q2*-1
• InChI Key: VWGJFGJEXBXEDJ-UHFFFAOYSA-N
• Application: Heck olefination of haloarenes.
• Complexity: 409
• Covalently-Bonded Unit Count: 6
• Exact Mass: 940.11g/mol
• Formal Charge: -2
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 54
• Monoisotopic Mass: 938.11g/mol
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 74.6A^2

Custom Q&A

What is the molecular formula of trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II)?

The molecular formula is C46H48O4P2Pd2.

When was trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II) created?

It was created on October 26, 2006.

What is the molecular weight of trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II)?

The molecular weight is 939.7 g/mol.

What are the component compounds of trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II)?

The component compounds are Tri-o-tolylphosphine, Acetic Acid, and Palladium.

What is the InChIKey of trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II)?

The InChIKey is VWGJFGJEXBXEDJ-UHFFFAOYSA-N.

How many hydrogen bond donor counts are in trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II)?

There are 2 hydrogen bond donor counts.

What is the topological polar surface area of trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II)?

The topological polar surface area is 74.6 Ų.

How many rotatable bond counts are in trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II)?

There are 6 rotatable bond counts.

Is trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II) the canonicalized compound?

Yes, it is the canonicalized compound.

What is the formal charge of trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II)?

The formal charge is -2.