tBuXPhos Pd G1

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Catalog Number
ACM1142811128-1
Product Name
tBuXPhos Pd G1
Structure
Structure
CAS
1142811-12-8
Category
Palladium series catalysts
Synonyms
Chloropalladium(1+);ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-phenylethanamine
IUPAC Name
chloropalladium(1+);ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-phenylethanamine;
Molecular Weight
686.7
Molecular Formula
C37H55ClNPPd
Canonical SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)C.C1=CC=C([C-]=C1)CCN.Cl[Pd+]
InChI
InChI=1S/C29H45P.C8H10N.ClH.Pd/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;9-7-6-8-4-2-1-3-5-8;/h13-21H,1-12H3;1-4H,6-7,9H2;1H;/q;-1;+2/p-1
InChI Key
GITFHTZGVMIBGS-UHFFFAOYSA-M
Melting Point
150-159 °C
Appearance
Powder
Application
Catalyst for cross-coupling reactions of electron-deficient anilines with aryl chlorides.

Catalyst for rapid C-N bond-forming process at low catalyst loading.

Catalyst for C-N cross-coupling reactions, at or below room temperature.

Efficient Pd-catalyzed amination reactions for heterocycle functionization.
Complexity
658
Covalently-Bonded Unit Count
3
Exact Mass
685.27955
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
41
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
1
Monoisotopic Mass
685.27955
Rotatable Bond Count
9
Topological Polar Surface Area
26 Ų
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