Cyclobutane-1,1-dicarboxylic acid
1,1-Cyclobutanedicarboxylic acid
CAS: 5445-51-2
Molecular Formula: C6H8O4
Cyclobutane-1,1-dicarboxylic acid - Names and Identifiers
| Name | 1,1-Cyclobutanedicarboxylic acid |
| Synonyms | 1,1-Cyclobutanedicar 1,1-cyclobutanedicarboxylic cyclobutane-1,1-dicarboxylate 1,1-cyclobutanetwo forMic acid 1-Cyclobutanedicarboxylic acid 1,1-Cyclobutanedicarboxylic acid 1,1-cyclobutane dicarboxylic acid 1,1-Dicarboxylic acid cyclobutane Cyclobutane-1,1-dicarboxylic acid 1,1-cycbo butan edicarboxylic acid Caboplatin IMpurity B (Cyclobutane-1,1-dicarboxylic acid) |
| CAS | 5445-51-2 |
| EINECS | 226-651-2 |
| InChI | InChI=1/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)/p-2 |
| InChIKey | CCQPAEQGAVNNIA-UHFFFAOYSA-N |
Cyclobutane-1,1-dicarboxylic acid - Physico-chemical Properties
| Molecular Formula | C6H8O4 |
| Molar Mass | 144.13 |
| Density | 1.3217 (rough estimate) |
| Melting Point | 158°C(lit.) |
| Boling Point | 222.71°C (rough estimate) |
| Flash Point | 189.6°C |
| Vapor Presure | 2.27E-06mmHg at 25°C |
| Appearance | Fine Crystalline Powder |
| Color | White |
| BRN | 2046031 |
| pKa | pK1:3.13 ;pK2:5.88 (25°C) |
| Storage Condition | Store below +30°C. |
| Refractive Index | 1.5800 (estimate) |
| Physical and Chemical Properties | Crystallization. Melting point 159-163 °c. |
| Use | Used as a pharmaceutical intermediate for the synthesis of the anticancer drugs carboplatin and cisplatin |
Cyclobutane-1,1-dicarboxylic acid - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | 34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S28A - |
| UN IDs | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| TSCA | T |
| HS Code | 29172000 |
| Hazard Note | Corrosive |
| Hazard Class | 8 |
| Packing Group | III |
Cyclobutane-1,1-dicarboxylic acid - Upstream Downstream Industry
| Raw Materials | Sodium methoxide Bromine Sodium ethoxide |
Cyclobutane-1,1-dicarboxylic acid - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Uses | 1,1-cyclobutanedicarboxylic acid is used as a pharmaceutical intermediate to synthesize anti-cancer drugs carboplatin and cisplatin. Design, study and structural model of 1, 1-cyclobutanedicarboxylic acid for antitumor bicycloplatin. Hydrolysis mechanism of the second generation anticancer drug carboplatin. |
| production method | 1, 3-bromochloropropane and diethyl malonate are cyclized under the action of sodium ethoxide to form cyclobutane -1, 1-dicarboxylic acid diethyl ester, and then hydrolyzed to obtain the product. |
Last Update：2024-04-09 20:52:54
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Raw Materials for Cyclobutane-1,1-dicarboxylic acid