Bis(tri-tert-butylphosphine)palladium(0)

• CAS: 53199-31-8
• Catalog Number: ACM53199318
• Category: Palladium series catalysts
• Molecular Weight: 511.064g/mol
• Molecular Formula: C24H54P2Pd
• Description: Bis(tri-tert-butylphosphine)palladium(0) is also used in the preparation of G6P-T1 translocase inhibitors used in the treatment of diabetes. Also, its used to prepare new dibenzofulvenes.
• Synonyms: palladium,tritert-butylphosphane;Pd(t-Bu3P)2
• IUPAC Name: palladium;tritert-butylphosphane
• SMILES: CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd]
• InChI: InChI=1S/2C12H27P.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;/h2*1-9H3
• InChI Key: MXQOYLRVSVOCQT-UHFFFAOYSA-N
• Melting Point: >300ºC
• Flash Point: 94.6ºC
• Appearance: Off white crystalline solid
• Application: Introduced as an easier to handle Pd/P(t-Bu)3-based catalyst for the Negishi cross-coupling of aryl/vinyl chlorides.; ; A versatile catalyst for the cross-coupling of aryl and vinyl chlorides.; ; Catalyst for the amination of aryl chlorides and bromides using aqueous hydroxide bases.; ; Useful catalyst for the cross-coupling of heteroaromatic carboxylic acids.; ; Pd-catalyzed Newnan-Kwart rearrangement of O-aryl thiocarbamates.; ; Cross-coupling of silanolates and halides.; ; Elimination/isomerization of enol triflates derived from β-ketoesters.
• Storage: Freezer
• Complexity: 128
• Covalently-Bonded Unit Count: 3
• Exact Mass: 510.274g/mol
• Hazard Codes: Xi
• Heavy Atom Count: 27
• LogP: 9.72760
• MDL Number: MFCD03094580
• Monoisotopic Mass: 510.274g/mol
• PSA: 27.18
• Rotatable Bond Count: 6
• Storage Conditions: Freezer
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of Bis(tri-tert-butylphosphine)palladium(0)?

The molecular formula is C24H54P2Pd.

When was the Bis(tri-tert-butylphosphine)palladium(0) created and last modified?

It was created on 2005-07-19 and last modified on 2023-12-30.

What are some synonyms for Bis(tri-tert-butylphosphine)palladium(0)?

Synonyms include BIS(TRI-TERT-BUTYLPHOSPHINE)PALLADIUM, Bis(tri-t-butylphosphine)palladium(0), and more.

What is the molecular weight of Bis(tri-tert-butylphosphine)palladium(0)?

The molecular weight is 511.1 g/mol.

What are the component compounds of Bis(tri-tert-butylphosphine)palladium(0)?

The component compounds are Palladium and Tri-tert-butylphosphine.

What is the IUPAC name of Bis(tri-tert-butylphosphine)palladium(0)?

The IUPAC name is palladium;tritert-butylphosphane.

What is the InChIKey of Bis(tri-tert-butylphosphine)palladium(0)?

The InChIKey is MXQOYLRVSVOCQT-UHFFFAOYSA-N.

What is the Canonical SMILES of Bis(tri-tert-butylphosphine)palladium(0)?

The Canonical SMILES is CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd].

What is the CAS number of Bis(tri-tert-butylphosphine)palladium(0)?

The CAS number is 53199-31-8.

How many Covalently-Bonded Unit Count does Bis(tri-tert-butylphosphine)palladium(0) have?

It has a Covalently-Bonded Unit Count of 3.

What are the synonyms for Bis(tri-tert-butylphosphine)palladium(0)?

Some synonyms include Bis(tri-t-butylphosphine)palladium(0) and palladium;tritert-butylphosphane.

When was Bis(tri-tert-butylphosphine)palladium(0) created?

It was created on July 19, 2005.

How many hydrogen bond donor counts does Bis(tri-tert-butylphosphine)palladium(0) have?

It has 0 hydrogen bond donor counts.

What is the exact mass of Bis(tri-tert-butylphosphine)palladium(0)?

The exact mass is 510.27356 g/mol.

How many rotatable bond counts does Bis(tri-tert-butylphosphine)palladium(0) have?

It has 6 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the European Community Number for Bis(tri-tert-butylphosphine)palladium(0)?

The European Community Number is 640-284-9.