AKOS AUF2071
4,5-Imidazoledicarboxylic acid
CAS: 570-22-9
Molecular Formula: C5H4N2O4
AKOS AUF2071 - Names and Identifiers
| Name | 4,5-Imidazoledicarboxylic acid |
| Synonyms | AKOS AUF2071 AKOS BBS-00002898 IFLAB-BB F1918-0019 Glycoxalinedicarboxylic acid 4,5-IMIDAZOLEDICARBOXYLIC ACID 1H-imidazole-4,5-dicarboxylate 4,5-Imidazoledicarboxylic acid IMIDAZOLE-4,5-DICARBOXYLIC ACID alpha-beta-imidazolecarboxylicacid 1H-Imidazole-4,5-dicarboxylic Acid alpha,beta-Imidazoledicarboxylic acid |
| CAS | 570-22-9 |
| EINECS | 209-327-5 |
| InChI | InChI=1/C5H4N2O4/c8-4(9)2-3(5(10)11)7-1-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)/p-2 |
| InChIKey | ZEVWQFWTGHFIDH-UHFFFAOYSA-N |
AKOS AUF2071 - Physico-chemical Properties
| Molecular Formula | C5H4N2O4 |
| Molar Mass | 156.1 |
| Density | 1,749 g/cm3 |
| Melting Point | 280-285 °C (dec.) (lit.) |
| Boling Point | 280.29°C (rough estimate) |
| Flash Point | 335.5°C |
| Water Solubility | 0.5g/L(20 ºC) |
| Solubility | 0.5g/l |
| Vapor Presure | 8.51E-17mmHg at 25°C |
| Appearance | Light Yellow Powder |
| Color | Light yellow to yellow-brown |
| BRN | 147774 |
| pKa | 3.59±0.10(Predicted) |
| PH | 3.7 (0.5g/l, H2O, 20℃) |
| Storage Condition | Store below +30°C. |
| Refractive Index | 1.4800 (estimate) |
| MDL | MFCD00005200 |
| Physical and Chemical Properties | White crystalline powder. The melting point is about 280 ° C (decomposition into imidazole and carbon dioxide). Soluble in ammonia or alkali solution, insoluble in water, ethanol, ether. |
| Use | Mainly used for the synthesis of cefimidazole and other raw materials |
AKOS AUF2071 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| RTECS | NI4760000 |
| TSCA | Yes |
| HS Code | 29332990 |
AKOS AUF2071 - Introduction
Decompose into imidazole and carbon dioxide at about 280 ℃. Soluble in ammonia or alkali solution, insoluble in water, solubility in water: 0.5g/L (20°C), insoluble in ethanol and ether.
Last Update：2022-10-16 17:26:31
AKOS AUF2071 - 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) |
| Use | imidazole-4, 5-dicarboxylic acid is a nitrogen-containing aromatic dicarboxylic acid. Nitrogen-containing aromatic dicarboxylic acid is an important fine chemical raw material, which is mainly used in pesticide, medicine and dye industries. for the production of imidazole. mainly used in the synthesis of cefimidazole and other raw materials cefimidazole intermediates, can also be used for coordination compounds. |
| preparation | imidazole-4, 5-dicarboxylic acid can be obtained by oxidative ring opening of benzimidazole. (1) 30g of water is added to the reaction kettle, stirring is started, 0.03g of Fe(NO3)3.9H2O, 15g of 58% nitric acid, 0.03g of tetrabutylamine bromide and 2.5g of benzimidazole are successively added, and the temperature is raised; (2) when the reaction temperature reaches 60 ℃, 20g of oxone is added in batches, and the reaction is maintained for 16h after the addition is completed; (3) after the reaction is completed, cool to -10~10 ℃, slowly Dropwise add concentrated ammonia to adjust pH = 0.6~1 under stirring, then continue stirring for 0.5h, Suction filtration, drying, get imidazole-4, 5-dicarboxylic acid, the filtrate was used to further recover the product in 68% yield. 1H NMR(400m Hz,DMSO-6d) Δ10.02 (brs,2H),8.81(s,1H).. |
| production method | is obtained from O-phenylenediamine by cyclization and ring opening. O-phenylenediamine was added to formic acid, heated with stirring, and incubated at 95-98 °c for 2H. The temperature was cooled to 50-60 ° C., adjusted to pH = 10 with 10% sodium hydroxide solution, lowered to room temperature, filtered, washed with water, and dried to obtain benzimidazole. Add benzimidazole into concentrated acid with stirring, raise the temperature to 100 ℃, slowly add hydrogen peroxide Dropwise, stir and react at 140-150 ℃ for 1H, cool to 40 ℃, dilute with water, and precipitate crystals, filtration, washing with water, and drying gave 4, 5-carboxyimidazole. |
Last Update：2024-04-10 22:29:15
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