6836-19-7
7-methoxy-1-tetralone
CAS: 6836-19-7
Molecular Formula: C11H12O2
6836-19-7 - Names and Identifiers
| Name | 7-methoxy-1-tetralone |
| Synonyms | 7-M 7-Methoxy-1-tetralon 7-methoxy-1-tetralone 7-methoxyl-1-tetralone 7-Methoxy-1-tetralinone 7-methoxytetralin-1-one 7-Methoxy-1-oxotetraline 3,4-Dihydro-7-methoxy-1(2H)-naphthalenone 7-methoxy-3,4-dihydronaphthalen-1(2H)-one 7-methoxy-1,2,3,4-tetrahydronaphthalen-1-one 7-Methoxy-1,2,3,4-tetrahydronaphthalene-1-one |
| CAS | 6836-19-7 |
| EINECS | 229-916-0 |
| InChI | InChI=1/C11H12O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7H,2-4H2,1H3 |
| InChIKey | GABLTKRIYDNDIN-UHFFFAOYSA-N |
6836-19-7 - Physico-chemical Properties
| Molecular Formula | C11H12O2 |
| Molar Mass | 176.21 |
| Density | 1.124±0.06 g/cm3(Predicted) |
| Melting Point | 59-63 °C (lit.) |
| Boling Point | 160-165 C |
| Flash Point | 145.8°C |
| Water Solubility | 309mg/L at 25℃ |
| Solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.000535mmHg at 25°C |
| Appearance | White crystal |
| Color | White to beige |
| BRN | 2208389 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.548 |
| MDL | MFCD00001696 |
| Use | Used as a pharmaceutical intermediate. |
6836-19-7 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| HS Code | 29145090 |
6836-19-7 - Reference Information
| LogP | 2.68 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Application | 7-methoxy-1-naphthalenone is an intermediate in organic synthesis and a pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process. |
| preparation | 1)3-(4-methoxybenzoyl) propionic acid (3) add 100mL of dichloromethane to 250 mL 3-flask, add anhydrous aluminum trichloride (25.9g,1.942 mol), anisole (10g, 0.092 mol), succinic anhydride (9.7g,0.097 mol) under stirring after the reaction is finished, the reaction solution is transferred to 200mL of 3 mol/L dilute hydrochloric acid, and dichloromethane is distilled off under reduced pressure, the product was precipitated from the aqueous phase, and dried by Suction filtration to obtain 17.2g of white powder. The purity was 90%, and 15 g of white crystals were obtained by recrystallization from 17.2 of ethanol. The purity was 99%, the yield was 78%, and the melting point was 146.2~146.7. 2) synthesis of 4-(4-methoxyphenyl) butyric acid (4) to a 250 three-necked bottle, add-diethylene glycol 100, compound 3(12g, 0.058) mol), 80% hydrazine hydrate (7.2g.0.115 mol), potassium hydroxide (13G. 0.232 mol), slowly heated to 150~180 C, Reflux reaction for 4 hours. After completion of the reaction, the product was transferred to IL water, adjusted to acidic with concentrated hydrochloric acid, precipitated out, filtered, rinsed with about 50 mL water, and dried at 45~50 C to obtain 9.9g white powder, with purity of 99% and yield of 89%. 3) synthesis of 7-methoxy-1-naphthalenone 20g of concentrated sulfuric acid was added to 100 mL three-necked bottles, heated to 50-60°C, and compound 4(10g, 0.052 mol) was added in portions, after completion of the addition, the reaction was maintained for 1 h. After completion of the reaction, the reaction was transferred to 350 mL of cold water, extracted with mL X3 of toluene, subtracted by organic, compressed to dry, and 50 mL of petroleum ether was added, 20 mL of petroleum ether was rinsed and dried at 50°C to obtain 7.5g of light yellow crystals with a purity of 99% and a yield of 82 %. |
| Use | for pharmaceutical intermediates |
Last Update：2024-04-09 19:05:13
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