tBuXPhos Pd G1

Catalog Number	ACM1142811128-1
CAS	1142811-12-8
Structure
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
Purity	98%
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
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

Q&A

What is the molecular formula of tBuXPhos Pd G1?

The molecular formula of tBuXPhos Pd G1 is C37H55ClNPPd.

What is the molecular weight of tBuXPhos Pd G1?

The molecular weight of tBuXPhos Pd G1 is 686.7 g/mol.

What is the IUPAC name of tBuXPhos Pd G1?

The IUPAC name of tBuXPhos Pd G1 is chloropalladium(1+);ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-phenylethanamine.

What is the InChI of tBuXPhos Pd G1?

The InChI of tBuXPhos Pd G1 is 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.

What is the CAS number of tBuXPhos Pd G1?

The CAS number of tBuXPhos Pd G1 is 1142811-12-8.

What is the European Community (EC) Number of tBuXPhos Pd G1?

The European Community (EC) Number of tBuXPhos Pd G1 is 689-565-8.

What is the hydrogen bond donor count of tBuXPhos Pd G1?

The hydrogen bond donor count of tBuXPhos Pd G1 is 1.

What is the hydrogen bond acceptor count of tBuXPhos Pd G1?

The hydrogen bond acceptor count of tBuXPhos Pd G1 is 2.

How many rotatable bonds are there in tBuXPhos Pd G1?

There are 9 rotatable bonds in tBuXPhos Pd G1.

Is tBuXPhos Pd G1 a canonicalized compound?

Yes, tBuXPhos Pd G1 is a canonicalized compound.

What are the synonyms of tBuXPhos Pd G1?

The synonyms of tBuXPhos Pd G1 include Chloro[2-(di-tert-butylphosphino)-2',4',6'-triisopropyl-1,1'-biphenyl][2-(2-aminoethyl)phenyl)]palladium(II) and MFCD12911909.

What is the InChIKey of tBuXPhos Pd G1?

The InChIKey of tBuXPhos Pd G1 is GITFHTZGVMIBGS-UHFFFAOYSA-M.

What is the canonical SMILES of tBuXPhos Pd G1?

The canonical SMILES of tBuXPhos Pd G1 is 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+].

What is the rotatable bond count of tBuXPhos Pd G1?

The rotatable bond count of tBuXPhos Pd G1 is 9.