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5-(Di-tert-butylphosphino)-1', 3', 5'-triphenyl-1'H-[1,4']bipyrazole

Catalog Number
ACM894086001
Product Name
5-(Di-tert-butylphosphino)-1', 3', 5'-triphenyl-1'H-[1,4']bipyrazole
Structure
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CAS
894086-00-1
  • Product Overview
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Synonyms
T-BU-BIPPYPHOS; 5-(di-tert-Butylphosphino)-1',3',5'-triphenyl-1'H-1,4'-bipyrazole; Ditert-butyl-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphane; 5-(Di-tert-butylphosphino)-1', 3', 5'-triphenyl-1'H-[1,4']bipyrazole, 97%; C32H35N4P; 894086-00-1; 5-(DI-T-BUTYLPHOSPHINO)-1',3',5'-TRIPHENYL-1,4'-BI-1H-PYRAZOLE; 1',3',5'-Triphenyl-5-(ditert-butylphosphino)-1,4'-bi[1H-pyrazole]; SCHEMBL140011; AX8165445;
IUPAC Name
ditert-butyl-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphane;
Molecular Weight
506.634g/mol
Molecular Formula
C32H35N4P;
Canonical SMILES
CC(C)(C)P(C1=CC=NN1C2=C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)C;
InChI
InChI=1S/C32H35N4P/c1-31(2,3)37(32(4,5)6)27-22-23-33-36(27)30-28(24-16-10-7-11-17-24)34-35(26-20-14-9-15-21-26)29(30)25-18-12-8-13-19-25/h7-23H,1-6H3;
InChI Key
PTXJGGGNGMPMBG-UHFFFAOYSA-N;
Complexity
697
Covalently-Bonded Unit Count
1
Exact Mass
506.26g/mol
H-Bond Acceptor
2
Heavy Atom Count
37
Monoisotopic Mass
506.26g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
35.6A^2
Application
5-(Di-tert-butylphosphino)-1',3',5'-triphenyl-1'H-[1,4']bipyrazole serves as a highly effective ligand for facilitating the palladium-catalyzed amination of various aryl halides, including challenging aryl chlorides. This non-proprietary ligand is ideally suited for use in conjunction with the palladium source Pd2(dba)3, ensuring optimal performance in these catalytic processes.
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