Palladium,bis[4-[bis(1,1-dimethylethyl)phosphino-kP]-N,N-dimethylbenzenamine]dichloro-, (SP-4-1)-

Product Information

Molecular Formula:
C32H56 Cl2 N2 P2 Pd
Molecular Weight:
708.07
Description
Application Guide for Palladium Catalyzed Cross-Coupling Reactions
Higly active, air-stable catalyst for Suzuki-Miyaura cross-coupling with aryl halides including 5- and 6-membered heteroaryl chlorides.
Synonyms
(A-taPhos)2PdCl2,Pd(amphos)Cl2
IUPAC Name
4-ditert-butylphosphanyl-N,N-dimethylanilinedichloropalladium
Canonical SMILES
CC(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.CC(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.Cl[Pd]Cl
InChI
InChI=1S/2C16H28NP.2ClH.Pd/c2*1-15(2,3)18(16(4,5)6)14-11-9-13(10-12-14)17(7)8/h2*9-12H,1-8H32*1H/q+2/p-2
InChI Key
DWOZNANUEDYIOF-UHFFFAOYSA-L

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
8
Exact Mass
706.23306 g/mol
Monoisotopic Mass
706.23306 g/mol
Topological Polar Surface Area
6.5Ų
Heavy Atom Count
39
Formal Charge
0
Complexity
240
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
3
Compound Is Canonicalized
Yes

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The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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