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Merck
CN

681555

1-[2-[Bis(tert-butyl)phosphino]phenyl]-3,5-diphenyl-1H-pyrazole

96%

Synonym(s):

TrippyPhos

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About This Item

Empirical Formula (Hill Notation):
C29H33N2P
CAS Number:
628333-86-8
Molecular Weight:
440.56
UNSPSC Code:
12352005
PubChem Substance ID:
24885641
MDL number:
MFCD09038823

Key Documents

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InChI

1S/C29H33N2P/c1-28(2,3)32(29(4,5)6)27-20-14-13-19-25(27)31-26(23-17-11-8-12-18-23)21-24(30-31)22-15-9-7-10-16-22/h7-21H,1-6H3

SMILES string

CC(C)(C)P(c1ccccc1-n2nc(cc2-c3ccccc3)-c4ccccc4)C(C)(C)C

InChI key

JAIIBHBCNPAPPF-UHFFFAOYSA-N

assay

96%

form

solid

reaction suitability

reaction type: Buchwald-Hartwig Cross Coupling Reaction, reaction type: Heck Reaction, reaction type: Hiyama Coupling, reaction type: Negishi Coupling, reaction type: Sonogashira Coupling, reaction type: Stille Coupling, reaction type: Suzuki-Miyaura Coupling, reagent type: ligand
reaction type: Cross Couplings

mp

138-142 °C

functional group

phosphine

Application

Catalyst in:
  • Palladium-catalyzed cross-coupling-alkyne cyclization
  • Heterocyclization of diketones
Non-proprietary ligand for palladium-catalyzed amination or aryl halides including aryl chlorides. Works best when the palladium source is Pd2(dba)3 (328774).

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBD4350V
22496DKV
22496DK
02805TE

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Synthesis, 1727-1727 (2003)
Tetrahedron Letters, 47, 3727-3727 (2006)

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