tert-Butyl 3-(2-ethoxy-2-oxoethylidene)azetidine-1-carboxylate
CAS No.:
1002355-96-5
M. Wt:
241.28400
M. Fa:
C12H19NO4
InChI Key:
WYWJZDFQQJTRDD-UHFFFAOYSA-N
Appearance:
Pale-yellow Liquid
Names and Identifiers of 1002355-96-5
CAS Number |
1002355-96-5 |
|---|---|
EC Number |
691-083-8 |
MDL Number |
MFCD16140210 |
IUPAC Name |
tert-butyl 3-(2-ethoxy-2-oxoethylidene)azetidine-1-carboxylate |
InChI |
InChI=1S/C12H19NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h6H,5,7-8H2,1-4H3 |
InChIKey |
WYWJZDFQQJTRDD-UHFFFAOYSA-N |
Canonical SMILES |
CCOC(=O)C=C1CN(C1)C(=O)OC(C)(C)C |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1002355-96-5
Acidity coefficient |
-1.67±0.20(Predicted) |
|---|---|
Boiling Point |
319.5±35.0 °C(Predicted) |
Density |
1.06g/ml |
Exact Mass |
241.13100 |
Flash Point |
>110℃ |
Index of Refraction |
1.47 |
LogP |
1.66450 |
Molecular Formula |
C12H19NO4 |
Molecular Weight |
241.28400 |
PSA |
55.84000 |
Storage condition |
2-8°C |
Safety Information of 1002355-96-5
Applications of 1002355-96-5
This compound finds applications primarily in:
- Pharmaceutical Chemistry: As an intermediate in the synthesis of bioactive compounds.
- Chemical Research: Used as a reagent in various organic synthesis protocols.
- Agricultural Chemistry: Potential use in developing agrochemicals due to its structural properties.
Physical sample testing spectrum (NMR) of 1002355-96-5
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