RockPhos Pd G3 - ≥98% , CAS No.2009020-38-4

CAS: 2009020-38-4 Cat. No.: M282867 Formula: C₄₄H₆₂NO₄PPdS Molecular Weight: 838.43 EC Number: 102-545-0 PubChem CID: 117065433

GRADE & PURITY ≥98%

Synonyms

Methanesulfonato(2-(di-t-butylphosphino)-3-methoxy-6-methyl-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

The 3rd generation Buchwald palladium catalyst contains blocky RockPhos ligands. The system has been shown to be effective in cross coupling reaction reactions like arylated fatty alcohols.

Specifications

Synonyms

Methanesulfonato(2-(di-t-butylphosphino)-3-methoxy-6-methyl-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II)

Specifications & Purity

≥98%

Legal Information

Patents: PCT/US2013/030779, US Serial No. 13/799620. Buchwald Palladacycle Precatalyst Kit 2 component

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Canonical Smiles

CC1=C(C(=C(C=C1)OC)P(C(C)(C)C)C(C)(C)C)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]

IUPAC Name

ditert-butyl-[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phenylaniline

InChIKey

QAHMIRGGAFFMDS-UHFFFAOYSA-N

INCHI

1S/C31H49OP.C12H10N.CH4O3S.Pd/c1-19(2)23-17-24(20(3)4)28(25(18-23)21(5)6)27-22(7)15-16-26(32-14)29(27)33(30(8,9)10)31(11,12)13;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h15-21H,1-14H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;;

Isomeric SMILES

CC1=C(C(=C(C=C1)OC)P(C(C)(C)C)C(C)(C)C)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]

PubChem CID

117065433

Molecular Weight

838.43

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Melt Point(°C): 220-250 °C

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2009020-38-4, the molecular formula is C44H62NO4PPdS, and the molecular weight is 838.43 g/mol. InChIKey QAHMIRGGAFFMDS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.