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Azetidon
CAS: 76855-69-1 | C13H25NO4Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
76855-69-1
Molecular Formula:
C13H25NO4Si
Molecular Mass:
287.43 g/mol
Names and Synonyms:
Azetidon
2-Azetidinone, 4-(acetyloxy)-3-[(1R)-1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-, (3R,4R)-
2-Azetidinone, 4-(acetyloxy)-3-[1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-, [3R-[3α(R*),4β]]-
(3R,4R)-4-(Acetyloxy)-3-[(1R)-1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-2-azetidinone
(1′R,3R,4R)-4-acetoxy-3-(1′-tert-butyldimethylsilyloxyethyl)-2-azetidinone
(3R,4R)-4-Acetoxy-3-[(R)-1-(tert-butyldimethylsilyloxy)ethyl]azetidinone
Azetidon
(3R,4R)-4-Acetoxy-3-[(R)-1-(tert-butyldimethylsiloxy)ethyl]azetidin-2-one
(3R,4R)-4-Acetoxy-3-[(R)-1-(tert-butyldimethylsilyloxy)ethyl]-2-azetidinone
(2R,3R)-3-((R)-1-(tert-Butyldimethylsiloxy)ethyl)-4-oxoazetidin-2-yl acetate
Identifiers:
SMILES:
CC(=O)O[C@H]1N=C(O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChI:
InChI=1S/C13H25NO4Si/c1-8(18-19(6,7)13(3,4)5)10-11(16)14-12(10)17-9(2)15/h8,10,12H,1-7H3,(H,14,16)/t8-,10+,12-/m1/s1
Key Properties
Melting Point
72-74 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 287.43 g/mol | CAS Common Chemistry |
| 287.432 g/mol | RDKit | |
| 287.15528481 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1NC(=O)C1C(O[Si](C)(C)C(C)(C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H25NO4Si/c1-8(18-19(6,7)13(3,4)5)10-11(16)14-12(10)17-9(2)15/h8,10,12H,1-7H3,(H,14,16)/t8-,10+,12-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GWHDKFODLYVMQG-UBHAPETDSA-N | CAS Common Chemistry |
| Melting Point | 72-74 °C | CAS Common Chemistry |
| Name | Azetidon | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 68.12 Ų | RDKit |
| LogP | 2.872200000000001 | RDKit |
| Molar Refractivity | 76.85180000000004 | RDKit |
