tris(propan-2-yloxy)lanthanum

• ChemBase ID: 140208
• Molecular Formular: C9H21LaO3
• Molecular Mass: 316.16674
• Monoisotopic Mass: 316.05542253
• SMILES: CC(C)O[La](OC(C)C)OC(C)C
• Canonical SMILES: CC(O[La](OC(C)C)OC(C)C)C
• InChI: InChI=1S/3C3H7O.La/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
• InChIKey: SORGMJIXNUWMMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(propan-2-yloxy)lanthanum
• IUPAC Traditional name: triisopropoxylanthanum
• Synonyms: Tris(isopropoxy)lanthanum(III); Lanthanum(III) isopropoxide; Lanthanum isopropylate; Lanthanum(III) tri-isopropoxide; 三(异丙氧基)镧(III); 三异丙氧基镧(III); 异丙氧基镧(III)

Database IDs

• CAS Number: 19446-52-7
• MDL Number: MFCD00015305
• PubChem SID: 162234452
• PubChem CID: 425426

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8419
• LogD (pH = 7.4): 2.8419
• Log P: 2.8419
• Molar Refractivity: 48.6429 cm^3
• Polarizability: 25.173414 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C9H21LaO3

DETAILS

Sigma Aldrich - 665193

Application
Complex with an (S,S)-phenyl-linked-binaphthol which promotes a catalytic 1,4-addition of malonate to cyclic and acyclic enones.1 Co-catalyst with CuF-triphenylphosphine in a general catalytic allylation of ketoimines.2
In many asymmetric catalysis applications, glove box and Schlenk techniques should be employed to prevent exposure of the rare earth catalyst to air and moisture, which can be detrimental to the reaction outcome. Solutions of the catalyst should be made using anhydrous solvents and used shortly after preparation.
Packaging
3 g in ampule
500 mg in ampule