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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceuticals and Biochemicals
XPhos Pd G3 structure
XPhos Pd G3 structure

XPhos Pd G3

CAS No.: 1445085-55-1
Molecular Weight:846.448
Modify Date.: 2022-11-25 01:10
1. Names and Identifiers
1.1 Name
XPhos Pd G3
1.2 Synonyms

(2-Dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2′-amino-1,1′-biphenyl)]palladium(II) methanesulfonate (SP-4-3)-[2'XPhos G3 Methanesulfonato(2-dicyclohexylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II) METHANESULFONATO(2-DICYCLOHEXYLPHOSPHINO-2',4',6'-TRI-I-PROPYL-1,1'-BIPHENYL)(2'-AMINO-1,1'-BIPHENYL-2-YL)PALLADIUM(II), MIN. 98 XPhos-G3-Palladacycle

1.3 CAS No.
1445085-55-1
1.4 Molecular Formula
C46H62NO3PPdS (isomer)
1.5 Inchi
InChI=1S/C33H49P.C12H10N.CH4O3S.Pd/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;;;+1/p-1
1.6 InChkey
NKKHABPORDUWIG-UHFFFAOYSA-M
1.7 Canonical Smiles
Cl[Pd+].NCCC1[C-]=CC=CC=1.CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2C(=CC=CC=2)P(C3CCCCC3)C4CCCCC4
1.8 Isomers Smiles
Cl[Pd+].NCCC1[C-]=CC=CC=1.CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2C(=CC=CC=2)P(C3CCCCC3)C4CCCCC4
2. Properties
3.1 Melting point
146-151°C (decomposition)
3.1 Precise Quality
843.30700
3.1 PSA
79.17000
3.1 logP
13.87710
3.1 Appearance
white to off-whitePowder
3.2 Color/Form
white to off-white
3. Safety and Handling
4.1 Risk Statements
52/53
4.1 Safety Statements
61
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. Other Information
5.0 Reaction
Palladium precatalyst for facile C-N cross-coupling reactions.
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XPhos Pd G3
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2021/02/01
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XPhosPdG3
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2021/06/02
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7. Realated Product Infomation