Thursday, 19 October 2017
PHTHALAN
Phtalan
PHTHALAN
- PHTHALAN
- 1,3-Dihydroisobenzofuran
- 496-14-0
- Isocoumaran
- 1,3-Dihydro-2-benzofuran
- Isobenzofuran, 1,3-dihydro-
- o-Xylylene oxide
1H NMR PREDICT
13C NMR PREDICT
Phthalane is a bicyclic aromatic organic compound. It is also known as isocoumaran, or 1,3-dihydro-2-benzofuran. Derivatives are found in the drug Citalopram, and drug candidate Lu 10-171. It can be oxidised to phthalic acid.
 | |
| Names | |
|---|---|
| IUPAC name
1,3-dihydroisobenzofuran
| |
| Identifiers | |
3D model (JSmol)
| |
| ChemSpider | |
| ECHA InfoCard | 100.007.106 |
| EC Number | 207-815-2 |
PubChem CID
| |
| Properties | |
| C8H8O | |
| Molar mass | 120.148 |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
| |
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Wednesday, 18 October 2017
2,3-dihydrobenzofuran
2,3-
- CAS Number 496-16-2
- Empirical Formula (Hill Notation) C8H8O
- Molecular Weight 120.15
- Beilstein Registry Number 111928
http://www.rsc.org/suppdata/gc/c4/c4gc01822b/c4gc01822b1.pdfhttp://www.rsc.org/suppdata/gc/c4/c4gc01822b/c4gc01822b1.pdf
1H NMR
MASS
IR
UV
1H NMRPREDICT
13C NMR PREDICT
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Monday, 16 October 2017
Diethyl Isosorbide (DEI)
Diethyl Isosorbide (DEI): []D 20 +95.9 (c 1, in MeOH);
1H NMR (400 MHz; CDCl3; Me4Si): 4.63 (t, J = 4.2 Hz, 1H, H-4), 4.51 (d, J = 4.1 Hz, 1H, H-3), 4.06–3.90 (m, 5H, H- 1, H-2, H-5, H-6), 3.80–3.69 (m, 1H, CH2-OC-5), 3.63–3.49 (m, 4H, H-6, CH2-OC-5, CH2- OC-2), 1.23 ppm (dt, J = 17.8, 7.0 Hz, 6H, CH3CH2O-C-2, CH3CH2O-C-5);
13C NMR (101 MHz; CDCl3; Me4Si): 86.57 (C-3), 84.45 (C-2), 80.36 (C-5), 80.27 (C-4), 73.64 (C-1), 69.81 (C-6), 66.28 (CH2-O-C-5), 65.24 (CH2-O-C-2), 15.49 ppm (CH3-CH2OC-5), 15.44 (CH3-CH2OC-2);
MS (70 eV): m/z 202 (M+ , 6%), 157 (1), 113 (17), 89 (33), 69 (100), 57 (11), 44 (39).
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