5-(DI-TERT-BUTYLPHOSPHINO)-1', 3', 5'-TRIPHENYL-1'H-[1,4']BIPYRAZOLE

Product Information

Molecular Formula:
C32H35N4P
Molecular Weight:
506.620861
Description
Non-proprietary ligand for palladium-catalyzed amination of aryl halides including aryl chlorides. Works best when the palladium source is Pd2(dba)3 (328774).
Synonyms
BIPPYPHOS; 5-[BIS(TERT-BUTYL)PHOSPHINO]-1',3',5'-TRIPHENYL-1,4'-BI-1H-PYRAZOLE; 5-(DI-TERT-BUTYLPHOSPHINO)-1', 3', 5'-TRIPHENYL-1'H-[1,4']BIPYRAZOLE
IUPAC Name
ditert-butyl-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphane
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
Boiling Point
652.686ºC at 760 mmHg
Melting Point
169-173ºC
Flash Point
Not applicable
Purity
95%

Computed Properties

XLogP3
7.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
7
Exact Mass
506.25993413 g/mol
Monoisotopic Mass
506.25993413 g/mol
Topological Polar Surface Area
35.6Ų
Heavy Atom Count
37
Formal Charge
0
Complexity
697
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114085213-A Preparation method of ARV-471 2022-01-20
CN-113831296-A 1-phenyl-3- (4- (pyrimidine-5-amino) phenyl) prop-2-ene-1-ketone compound and application thereof 2021-07-27
CN-111072721-A Compound containing bispyrazole ring, intermediate and application thereof 2019-12-31
CN-111100165-A Preparation method of compound containing bispyrazole ring and intermediate thereof 2019-12-31
WO-2021127397-A1 Nitrogen heterocyclic compounds and methods of use 2019-12-19
WO-2021116050-A1 New braf inhibitors as paradox breakers 2019-12-10
TW-202136218-A New braf inhibitors as paradox breakers 2019-12-10
US-2021171543-A1 Mcl1 inhibitors 2019-11-12
WO-2021096860-A1 Mcl1 inhibitors 2019-11-12
WO-2021056466-A1 Method for preparing secondary aromatic amine 2019-09-27
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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