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14532-05-9 molecular structure
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tris(propan-2-yloxy)gadolinium

ChemBase ID: 140533
Molecular Formular: C9H21GdO3
Molecular Mass: 334.51124
Monoisotopic Mass: 335.07317253
SMILES and InChIs

SMILES:
CC(C)O[Gd](OC(C)C)OC(C)C
Canonical SMILES:
CC(O[Gd](OC(C)C)OC(C)C)C
InChI:
InChI=1S/3C3H7O.Gd/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
InChIKey:
VJLSFXQJAXVOEQ-UHFFFAOYSA-N

Cite this record

CBID:140533 http://www.chembase.cn/molecule-140533.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(propan-2-yloxy)gadolinium
IUPAC Traditional name
triisopropoxygadolinium
Synonyms
Tris(isopropoxy) gadolinium(III)
Gadolinium(III) tris(isopropoxide)
三异丙醇钆
CAS Number
14532-05-9
MDL Number
MFCD00144381
PubChem SID
162234777
PubChem CID
10882218

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
663948 external link Add to cart Please log in.
Data Source Data ID
PubChem 10882218 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8419  LogD (pH = 7.4) 2.8419 
Log P 2.8419  Molar Refractivity 48.6429 cm3
Polarizability 25.726328 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
>300 °C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
99% expand Show data source
Empirical Formula (Hill Notation)
C9H21GdO3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 663948 external link
Application
Catalyst used in a ring opening of meso-aziridines with trimethylsilyl azide.5
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.
Catalyst for:
• Enantioselective construction of beta-quaternary carbons via conjugate addition reactions1
• Generation of reactive enolates2
• Regioselective / stereoselective conjugate addition of cyanide to enones3
• Strecker reactions4
• Asymmetric ring-opening of meso-aziridines5
Packaging
3 g in ampule
500 mg in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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