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694703 Sigma-Aldrich

Bis(3,5-di-tert-butyl-4-methoxyphenyl)chlorophosphine

Synonym: Bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl]phosphinous chloride

  • CAS Number 212713-08-1

  • Empirical Formula (Hill Notation) C30H46ClO2P

  • Molecular Weight 505.11

  •  MDL number MFCD08458881

  •  PubChem Substance ID 329761678

  •  NACRES NA.22

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Properties

Related Categories Catalysis and Inorganic Chemistry, Chemical Synthesis, Phosphine Compounds, Phosphorus Precursors
Quality Level   100
mp   116-120 °C
functional group   phosphine
reaction suitability   reaction type: Buchwald-Hartwig Cross Coupling Reaction
  reaction type: Heck Reaction
  reaction type: Hiyama Coupling
  reaction type: Negishi Coupling
  reaction type: Sonogashira Coupling
  reaction type: Stille Coupling
  reaction type: Suzuki-Miyaura Coupling
  reagent type: ligand
SMILES string   COc1c(cc(cc1C(C)(C)C)P(Cl)c2cc(c(OC)c(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI   1S/C30H46ClO2P/c1-27(2,3)21-15-19(16-22(25(21)32-13)28(4,5)6)34(31)20-17-23(29(7,8)9)26(33-14)24(18-20)30(10,11)12/h15-18H,1-14H3
InChI key   VOGHMZHRQUWLRE-UHFFFAOYSA-N

Description

Application

Reactant for:
• Asymmetric hydrogenation with iridium catalysts
• Condensations with optically active diols
• Chemoselective reaction with deprotonated 2-hydoxy-3,3,N-trimethylbutanamide

Reactant for synthesis of:
• Phosphine-containing amino acids and peptide-based catalyst ligands
• Nonracemic phosphine-containing amino acids for palladium-catalyzed asymmetric allylic substitution reactions

Packaging

100, 500 mg in glass bottle

Legal Information

Product of Kanata Chemical Technologies, Inc.

Safety & Documentation

Safety Information

Symbol 
GHS02  GHS02
Signal word 
Warning
Hazard statements 
Precautionary statements 
RIDADR 
UN1325 - class 4.1 - PG 3 - Flammable solids, organic, n.o.s., HI: all
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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