Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II)

Catalog Number	ACM887919359-2
CAS	887919-35-9
Structure
Synonyms	4-Ditert-butylphosphanyl-N,N-dimethylaniline;dichloropalladium
IUPAC Name	4-ditert-butylphosphanyl-N,N-dimethylaniline;dichloropalladium;
Molecular Weight	708.1
Molecular Formula	C32H56Cl2N2P2Pd
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,1-8H3;2*1H;/q;+2/p-2
InChI Key	DWOZNANUEDYIOF-UHFFFAOYSA-L
Purity	98%
Appearance	Powder
Application	Useful catalyst for the Suzuki Cross-Coupling of dioxolanylethyltrifluorborate and aryl/heteroaryl chlorides. Useful catalyst for the Suzuki Cross-Coupling of benzyloxyethyltrifluoroborate.
Complexity	240
Covalently-Bonded Unit Count	3
Exact Mass	706.23306
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Monoisotopic Mass	706.23306
Rotatable Bond Count	8
Topological Polar Surface Area	6.5 Ų

Q&A

What is the molecular formula of the compound Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II)?

The molecular formula is C32H56Cl2N2P2Pd.

What is the molecular weight of the compound?

The molecular weight is 708.1 g/mol.

What are some synonyms for the compound?

Some synonyms include Pd(amphos)Cl2, (A-taPhos)2PdCl2, and PDCL2(AMPHOS)2.

When was the compound created and last modified?

The compound was created on October 26, 2006, and last modified on December 30, 2023.

What is the IUPAC name of the compound?

The IUPAC name is 4-ditert-butylphosphanyl-N,N-dimethylaniline;dichloropalladium.

What is the InChIKey of the compound?

The InChIKey is DWOZNANUEDYIOF-UHFFFAOYSA-L.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES is 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.

What is the CAS number of the compound?

The CAS number is 887919-35-9.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count is 2.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the molecular formula of Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II)?

The molecular formula is C32H56Cl2N2P2Pd.

What is the molecular weight of Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II)?

The molecular weight is 708.1 g/mol.

What are some synonyms for Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II)?

Some synonyms include Pd(amphos)Cl2, (A-taPhos)2PdCl2, and PDCL2(AMPHOS)2.

When was Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II) created and last modified?

It was created on 2006-10-26 and last modified on 2023-12-30.

What is the IUPAC name of Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II)?

The IUPAC name is 4-ditert-butylphosphanyl-N,N-dimethylaniline;dichloropalladium.

What is the InChIKey of Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II)?

The InChIKey is DWOZNANUEDYIOF-UHFFFAOYSA-L.

What is the Canonical SMILES representation of Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II)?

The Canonical SMILES is 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.

What is the CAS number for Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II)?

The CAS number is 887919-35-9.

How many hydrogen bond acceptor counts does Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II) have?

It has 2 hydrogen bond acceptor counts.

Is the compound Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II) canonicalized?

Yes, the compound is canonicalized.