621-23-8
1,3,5-Trimethoxybenzene
CAS: 621-23-8
Molecular Formula: C9H12O3
621-23-8 - Names and Identifiers
| Name | 1,3,5-Trimethoxybenzene |
| Synonyms | 1,3,5-TriMetho TRISMETHOXYBENZENE 1,3,5-Methoxybenzene 1,3,5-Trimethoxybenzene 1,3,5-trimethoxy-benzen TRIMETHYL PHLOROGLUCINOL 1,3,5-Trimethyoxybenzene 1,3,5-trimethyoxy benzene Phloroglucinol trimethyl ether PHLOROGLUCINOL TRIMETHYL ETHER O,O,O-1,3,5-trimethylresorcinol |
| CAS | 621-23-8 |
| EINECS | 210-673-4 |
| InChI | InChI=1/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3 |
| InChIKey | LKUDPHPHKOZXCD-UHFFFAOYSA-N |
621-23-8 - Physico-chemical Properties
| Molecular Formula | C9H12O3 |
| Molar Mass | 168.19 |
| Density | 1,126g/cm |
| Melting Point | 50-53 °C (lit.) |
| Boling Point | 255 °C (lit.) |
| Flash Point | 186°F |
| Water Solubility | insoluble |
| Solubility | methanol: 0.1g/mL, clear, colorless |
| Vapor Presure | 0.0239mmHg at 25°C |
| Appearance | White crystal |
| Color | White to cream |
| BRN | 1307993 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1,533 |
| MDL | MFCD00008385 |
| Physical and Chemical Properties | White crystalline powder, melting point 51-53 °c, boiling point 255 °c. |
| Use | Intermediates for pharmaceutical and Organic synthesis |
621-23-8 - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | 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. |
| UN IDs | 1325 |
| WGK Germany | 3 |
| RTECS | DC2810000 |
| TSCA | Yes |
| HS Code | 29093090 |
| Hazard Note | Flammable Solid/Harmful |
| Hazard Class | 4.1 |
| Packing Group | III |
621-23-8 - Introduction
Insoluble in water; soluble in most conventional organic solvents, soluble in methanol.
Last Update：2022-10-16 17:27:17
621-23-8 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | 1.3.5-trimethoxybenzene is a white crystalline powder, insoluble in water, is an important organic synthesis intermediate, it is mainly used in the fields of pharmaceutical manufacturing and the synthesis of pesticides, and is an important raw material for the synthesis of buflomedil, a new drug for the expansion of peripheral vascular disorders. |
| preparation method | 1,3, 5-trimethoxybenzene synthesis method, including the following steps: 1) Methanol, the catalyst is mixed uniformly, argon is introduced, the pressure is controlled to 7 atmospheres, the temperature is controlled to 135 ℃, the maintenance is 30min, and the solution consisting of 1,3, 5-tribromobenzene and toluene is added dropwise, the dropping time of the solution was controlled to 45min. After the solution was added, triethylamine was added dropwise. The dropping time of triethylamine was controlled to 10min. After the addition of triethylamine was completed, the temperature was raised to 165 ℃, the pressure was raised to 11 atmospheres, and then the reaction was continued for 11H. The reaction was completed. The preparation method of the catalyst is as follows: sodium oxide and barium oxide are mixed and then ground, after passing through a 700 mesh sieve, the sieve residue is activated at 800 ℃, and the obtained mixture is mixed and ground with dextran gel, obtained through a 500 mesh sieve; The weight ratio of sodium oxide to barium oxide is 1: 0.32; The weight ratio of the activated mixture to the dextran gel was 1:55; The dextran gel model was G-25. The molar ratio of 1,3, 5-tribromobenzene to methanol is 1:95, the weight ratio of 1,3, 5-tribromobenzene to catalyst is 1:0.22, the amount ratio of 5-tribromobenzene to toluene was 1G: 6.5, and the molar ratio of 1,3, 5-tribromobenzene to triethylamine was 1:1.22. 2) After cooling the system, the solid was removed by filtration, the filtrate was added to 5 volumes of water, and then extracted with chloroform. After the extract was dried over anhydrous sodium sulfate, the solvent was concentrated and evaporated to give the product. The molar yield was 99.5% and the GC purity was 98.9%. |
| biological activity | 1,3,5-Trimethoxybenzene (Phloroglucinol trimethylol, Sym-trimethoxybenzene, trimethlphoglucinol) it is a potential marker for flavonoid intake in humans. |
| Use | for pharmaceutical and organic synthesis intermediates |
Last Update：2024-04-09 20:45:29
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