1,4-Diethoxynaphthalene CAS#: 27294-37-7; ChemWhat Code: 281628
Identification
| Product Name | 1,4-Diethoxynaphthalene |
| IUPAC Name | 1,4-diethoxynaphthalene |
| Molecular Structure |  |
| CAS Registry Number | 27294-37-7 |
| MDL Number | MFCD17012247 |
| Synonyms | 1,4-Diethoxynaphthalene 27294-37-7 starbld0016416 SCHEMBL50817 Naphthalene, 1,4-diethoxy- DTXSID70500502 BS-48837 DB-083638 F74697 |
| Molecular Formula | C14H16O2 |
| Molecular Weight | 216.27 |
| InChI | InChI=1S/C14H16O2/c1-3-15-13-9-10-14(16-4-2)12-8-6-5-7-11(12)13/h5-10H,3-4H2,1-2H3 |
| InChI Key | LJSLYKNKVQMIJY-UHFFFAOYSA-N |
| Isomeric SMILES | CCOC1=CC=C(C2=CC=CC=C21)OCC |
Physical Data
| Appearance | Solid |
| Melting Point, °C |
| 85 – 87 |
| 84 – 85.5 |
| 89 – 90 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | dichloromethane-d2 | 600 |
| Chemical shifts, Spectrum | 13C | dichloromethane-d2 | 125 |
| Chemical shifts | 1H | CDCl3 | |
| Spin-spin coupling constants | CDCl3 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Intensity of IR bands, Bands | |
| Bands | neat (no solvent) |
Route of Synthesis (ROS)
| Conditions | Yield |
| With potassium carbonate In acetone for 1h; Reflux; | 84% |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Source: European Chemicals Agency (ECHA)
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License URL: https://echa.europa.eu/web/guest/legal-notice
Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database
Other Data
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 216.28 |
| logP | 3.964 |
| HBA | 0 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 18.46 |
| Rotatable Bond (RotB) | 4 |
| Matching Veber Rules | 2 |
| Use Pattern |
| it is used as a Precursor for Antioxidants and in dye and pigment manufacturing, helps prevent oxidation reactions. This is particularly useful in applications like polymers, oils, food additives, or chemical products, where it can slow down the degradation caused by oxidation. In dye and pigment synthesis, 1,4-diethoxynaphthalene acts as an essential building block, improving the solubility, lightfastness, and color saturation of the dye. Its ethoxy groups increase dye stability and enhance dispersion, making it adhere better to various materials. The compound can be integrated into the design of a wide range of dyes, leading to greater diversity in color performance. When used in special dyes, it can also improve durability and colorfastness, making it suitable for textiles, paints, and coatings. |
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