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Home > Products > Organic Building Blocks > Organic Phosphine Compounds > 9,9-Dimethyl-4,5-bis(di -tert-butylphosphino) -9H-xanthene

Catalog Number
ACM856405771
Product Name
9,9-Dimethyl-4,5-bis(di -tert-butylphosphino) -9H-xanthene
Structure
CAS
856405-77-1
Synonyms
AX8240548; ditert-butyl-(5-ditert-butylphosphanyl-9,9-dimethylxanthen-4-yl)phosphane; SCHEMBL1315091; 4,5-bis(di-t-butylphosphino)-9,9-dimethylxanthene; 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene; FT-0728449; ZINC12359415; t-Bu-Xantphos; CS-W009619; DB-009564;
IUPAC Name
ditert-butyl-(5-ditert-butylphosphanyl-9,9-dimethylxanthen-4-yl)phosphane;
Molecular Formula
C31H48OP2;
Molecular Weight
498.672g/mol
Rotatable Bond Count
6
Exact Mass
498.318g/mol
Monoisotopic Mass
498.318g/mol
Topological Polar Surface Area
9.2A^2
Heavy Atom Count
34
Complexity
613
Covalently-Bonded Unit
1
SMILES
CC1(C2=C(C(=CC=C2)P(C(C)(C)C)C(C)(C)C)OC3=C1C=CC=C3P(C(C)(C)C)C(C)(C)C)C;
InChI
InChI=1S/C31H48OP2/c1-27(2,3)33(28(4,5)6)23-19-15-17-21-25(23)32-26-22(31(21,13)14)18-16-20-24(26)34(29(7,8)9)30(10,11)12/h15-20H,1-14H3;
InChI Key
ZEIZANJFJXHMNS-UHFFFAOYSA-N;
H-Bond Acceptor
1
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1 Constructing a Catalytic Cycle for C-F to C-X (X = O, S, N) Bond Transformation Based on Gold-Mediated Ligand Nucleophilic Attack.

Hu JY1, Zhang J2, Wang GX1, Sun HL3, Zhang JL1.

Inorg Chem. 2016 Mar 7;55(5):2274-83. doi: 10.1021/acs.inorgchem.5b02634. Epub 2016 Feb 12.

A tricoordinated gold(I) chloride complex, tBuXantphosAuCl, supported by a sterically bulky 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene ligand (tBuXantphos) was synthesized. This complex features a remarkably longer Au-Cl bond length [2.632(1) Å] than bicoordinated linear gold complexes (2.27-2.30 Å) and tricoordinated XantphosAuCl [2.462(1) Å]. Single-crystal X-ray diffraction analysis of ... Read More

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