alpha-Carboxyphenylaceticacid
Phenylmalonic acid
CAS: 2613-89-0
Molecular Formula: C9H8O4
alpha-Carboxyphenylaceticacid - Names and Identifiers
| Name | Phenylmalonic acid |
| Synonyms | Phenylmalonic acid PHENYLMALONIC ACID RARECHEM AL BE 1370 phenylpropanedioate Phenylpropanedioc acid phenyl-propanedioicaci PHENYLPROPANEDIOC ACID Phenylpropanedionicacid phenylpropanedioic acid alpha-Carboxyphenylaceticacid 1-Hydroxy-4-(P-Tolyamino)Anthraquinone |
| CAS | 2613-89-0 |
| EINECS | 220-044-6 |
| InChI | InChI=1/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)/p-2 |
| InChIKey | WWYDYZMNFQIYPT-UHFFFAOYSA-N |
alpha-Carboxyphenylaceticacid - Physico-chemical Properties
| Molecular Formula | C9H8O4 |
| Molar Mass | 180.16 |
| Density | 1.2933 (rough estimate) |
| Melting Point | 149-152°C (dec.)(lit.) |
| Boling Point | 272.96°C (rough estimate) |
| Flash Point | 187.5°C |
| Water Solubility | soluble |
| Vapor Presure | 6.63E-06mmHg at 25°C |
| Appearance | Crystallization |
| Color | White to Almost white |
| BRN | 2048729 |
| pKa | pK1:2.58;pK2:5.03 (25°C) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.4500 (estimate) |
| MDL | MFCD00004253 |
| Physical and Chemical Properties | Melting point 153-155°C water-soluble solution |
alpha-Carboxyphenylaceticacid - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R41 - Risk of serious damage to eyes R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
alpha-Carboxyphenylaceticacid - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | this product is an intermediate of antibiotic drug carbenicillin sodium. Phenylphenylpropanoic acid is an intermediate of the antibiotic drug carbenicillin sodium. |
| production method | obtained by hydrolysis of diethyl phenylmalonate. Hydrolysis: first add anhydrous ethanol into the reaction pot, stir and add granular alkali until it is completely dissolved, cool to 45-50 ℃, add diethyl phenylmalonate dropwise, add it for about 2-3h, keep the temperature for 2h, then cool to 10-15 ℃, filter, dry at 60 ℃, and crush to obtain sodium phenylmalonate with 90% yield. Acidification: Put acetone in the reaction pot, add sodium phenylmalonate, cool to 10 ℃, and add sulfuric acid dropwise pH = 1.0-0.5. Filtration, filter cake is washed with acetone for four times and then discarded, filtrate and lotion are combined, acetone is concentrated and recovered to a thick shape with a thin film evaporator, toluene is added to crystallize and filter at 15 ℃, the filter cake is washed with toluene, filtered and dried to obtain phenylalanine diacid with 76% yield. |
Last Update：2024-04-10 22:41:56
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