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Safety Information

694703

Sigma-Aldrich

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

Synonym(s):

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

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About This Item

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

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

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.

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H228

Precautionary Statements

P210

Hazard Classifications

Flam. Sol. 2

Storage Class Code

4.1B - Flammable solid hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

694703-VAR:
694703-100MG:
694703-BULK:
694703-500MG:

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Certificates of Analysis (COA)

Lot/Batch Number
04615AJ

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