694703

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

• Synonym(s): Bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl]phosphinous chloride
• Empirical Formula (Hill Notation): C₃₀H₄₆ClO₂P
• CAS Number: 212713-08-1
• Molecular Weight: 505.11
• MDL number: MFCD08458881
• UNSPSC Code: 12352112
• PubChem Substance ID: 329761678
• NACRES: NA.22

Properties

• form: solid
• 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
• mp: 116-120 °C
• functional group: phosphine
• 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

Legal Information

Product of Kanata Chemical Technologies, Inc.

Safety Information

• pictograms: GHS02
• signalword: Warning
• hcodes: H228
• pcodes: P210
• Hazard Classifications: Flam. Sol. 2
• Storage Class: 4.1B - Flammable solid hazardous materials
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges