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About This Item
Linear Formula:
CH3CH2COOC(CH3)3
CAS Number:
Molecular Weight:
130.18
Beilstein:
1747857
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
99%
form
liquid
refractive index
n20/D 1.393 (lit.)
bp
118-118.5 °C (lit.)
density
0.865 g/mL at 25 °C (lit.)
functional group
ester
SMILES string
CCC(=O)OC(C)(C)C
InChI
1S/C7H14O2/c1-5-6(8)9-7(2,3)4/h5H2,1-4H3
InChI key
JAELLLITIZHOGQ-UHFFFAOYSA-N
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General description
Stereochemistry of kinetic Michael addition of the Z and E lithium enolates of tert-butyl propionate has been investigated.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
69.8 °F - closed cup
Flash Point(C)
21 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Acyclic stereoselection. 31. Stereoselection in the Michael addition reaction. 3. Relationship between ester enolate geometry and adduct stereochemistry in the kinetic Michael reaction of lithium enolates with enones.
Heathcock CH and Oare DA.
The Journal of Organic Chemistry, 50(16), 3022-3024 (1985)
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