NSC 130961
3,4,5-Trimethoxyphenylacetic acid
CAS: 951-82-6
Molecular Formula: C11H14O5
NSC 130961 - Names and Identifiers
| Name | 3,4,5-Trimethoxyphenylacetic acid |
| Synonyms | NSC 130961 3,4,5-TrimethoxyphenyL TriMethoxyphenylaceticaci (3,4,5-trimethoxyphenyl)acetatato 3,4,5-Trimethoxyphenylacetic acid 3,4,5-Trimethoxybenzeneacetic acid 3,4,5-TRIMETHOXYPHENYL ACETIC ACID FOR S Benzeneacetic acid, 3,4,5-trimethoxy- (9CI) Three, four, five, three oxygen radicals phenylacetic acid (3,4,5-Trimethoxyphenyl)acetic acid, 2-(3,4,5-Trimethoxyphenyl)ethanoic acid |
| CAS | 951-82-6 |
| EINECS | 213-456-2 |
| InChI | InChI=1/C11H14O5/c1-14-8-4-7(6-10(12)13)5-9(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)/p-1 |
| InChIKey | DDSJXCGGOXKGSJ-UHFFFAOYSA-N |
NSC 130961 - Physico-chemical Properties
| Molecular Formula | C11H14O5 |
| Molar Mass | 226.23 |
| Density | 1.2668 (rough estimate) |
| Melting Point | 117-120 °C (lit.) |
| Boling Point | 327.83°C (rough estimate) |
| Flash Point | 138.1°C |
| Water Solubility | SOLUBLE |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 7.75E-06mmHg at 25°C |
| Appearance | White to milky white colored crystals |
| Color | White to cream |
| BRN | 2697844 |
| pKa | 4.23±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5140 (estimate) |
| MDL | MFCD00004336 |
NSC 130961 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R38 - Irritating to the skin R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| HS Code | 29189090 |
| Hazard Note | Irritant |
NSC 130961 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Application | 3,4, 5-trimethoxyphenylacetic acid is a common intermediate in organic synthesis, its main use is the corresponding transformation of its carboxyl group. |
| preparation | in an argon-filled glove box, 2-(3,4, 5-methoxyphenyl) the cesium salt of acetic acid (35.8 mg) was brought into it and transferred into the reaction flask. Dry dimethyl sulfoxide (0.5 mL) was added to the flask and shaken to dissolve the product in dimethyl sulfoxide. The reaction tube was removed from the glove box, the tube was connected to the carbon dioxide system, and the argon in the reaction bottle was replaced with carbon dioxide to fill the reaction system with carbon dioxide. The resulting reaction mixture was allowed to stir at room temperature for 2 minutes, and then the reaction mixture was heated at 150°C. After completion of the reaction, the reaction mixture was cooled at room temperature, the reaction was quenched with 2m dilute hydrochloric acid (5 mL) while the corresponding cesium salt was converted to the desired product acid and the reaction mixture was stirred for 2 minutes. The reaction mixture was extracted with ethyl acetate (3-5ml, 3 times), the combined organic layers (ethyl acetate) were dried over magnesium sulfate, the combined organic layers were filtered to remove magnesium sulfate solids, and the combined organic layers were concentrated under reduced pressure, the solid obtained (after evaporation of the dry solvent) was then pumped with a vacuum pump for 30 minutes, and a small amount of residual solvent was removed to obtain the target product 3,4, 5-trimethoxyphenylacetic acid. |
Last Update：2024-04-09 02:00:12
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