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(R)-2-Methyl-Cbs-Oxazaborolidine
CAS: 112022-83-0 | C18H20BNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112022-83-0
Molecular Formula:
C18H20BNO
Molecular Mass:
277.18 g/mol
Names and Synonyms:
(R)-2-Methyl-Cbs-Oxazaborolidine
1H,3H-Pyrrolo[1,2-c][1,3,2]oxazaborole, tetrahydro-1-methyl-3,3-diphenyl-, (3aR)-
1H,3H-Pyrrolo[1,2-c][1,3,2]oxazaborole, tetrahydro-1-methyl-3,3-diphenyl-, (R)-
(3aR)-Tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole
(R)-Me-CBS
(R)-Me-Corey-Bakshi-Shibata reagent
(R-Methyl-Corey-Bakshi-Shibata catalyst
(R)-Tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole
(R)-Methyl-CBS
(R)-2-Methyl-CBS-oxazaborolidine
(R)-(+)-2-Methyl-CBS-oxazaborolidine
(R)-1-Methyl-3,3-diphenylhexahydropyrrolo[1,2-c][1,3,2]oxazaborole
(R)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole
(R)-1-Methyl-3,3-diphenylhexahydropyrrolo[1,2-c]-[1,3,2]oxazaborole
(3AR)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole
Identifiers:
SMILES:
CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12
InChI:
InChI=1S/C18H20BNO/c1-19-20-14-8-13-17(20)18(21-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3/t17-/m1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
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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 | 277.18 g/mol | CAS Common Chemistry |
| 277.176 g/mol | RDKit | |
| 277.16379466 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/(R)-2-Methyl-CBS-oxazaborolidine | CAS Common Chemistry |
| Canonical SMILES | O1B(N2CCCC2C1(C=3C=CC=CC3)C=4C=CC=CC4)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H20BNO/c1-19-20-14-8-13-17(20)18(21-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3/t17-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VMKAFJQFKBASMU-QGZVFWFLSA-N | CAS Common Chemistry |
| Name | (R)-2-Methyl-CBS-oxazaborolidine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.47 Ų | RDKit |
| LogP | 3.5428000000000024 | RDKit |
| Molar Refractivity | 86.09500000000006 | RDKit |
