Trans-1,2-Cyclohexanedicarboxylicacid
1,2-Cyclohexanedicarboxylic acid
CAS: 2305-32-0
Molecular Formula: C8H12O4
Trans-1,2-Cyclohexanedicarboxylicacid - Names and Identifiers
| Name | 1,2-Cyclohexanedicarboxylic acid |
| Synonyms | trans-Hexahydrophthalic acid TRANS-HEXAHYDRO-PHTHALIC ACID 1,2-Cyclohexanedicarboxylic acid Trans-1,2-Cyclohexanedicarboxylicacid (1R,2R)-cyclohexane-1,2-dicarboxylate trans-1,2-Cyclohexanedicarboxylic acid TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ACID TRANS-CYCLOHEXANE-1,2-DICARBOXYLIC ACID (1R,2R)-cyclohexane-1,2-dicarboxylic acid (1R,2S)-cyclohexane-1,2-dicarboxylic acid (1S,2S)-cyclohexane-1,2-dicarboxylic acid rel-(1R*,2R*)-1,2-Cyclohexanedicarboxylic acid rel-(1R*)-1β*,2α*-Cyclohexanedicarboxylic acid trans-Cyclohexane-1,2-dicarboxylic acid for synthesis trans-Cyclohexane-1,2-dicarboxylic acid, trans-Hexahydrophthalic acid |
| CAS | 2305-32-0 |
| EINECS | 218-975-8 |
| InChI | InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/p-2/t5-,6-/m1/s1 |
| InChIKey | QSAWQNUELGIYBC-WDSKDSINSA-N |
Trans-1,2-Cyclohexanedicarboxylicacid - Physico-chemical Properties
| Molecular Formula | C8H12O4 |
| Molar Mass | 172.18 |
| Density | 1.2104 (rough estimate) |
| Melting Point | 228-230 °C (lit.) |
| Boling Point | 262.49°C (rough estimate) |
| Flash Point | 200.3°C |
| Water Solubility | 2g/L(20 ºC) |
| Solubility | Acetone (Slightly), DMSO (Slightly) |
| Vapor Presure | 5.78E-07mmHg at 25°C |
| Appearance | Crystalline powder |
| Color | White |
| BRN | 3200609 |
| pKa | pK1:4.18;pK2: 5.93 (20°C) |
| Storage Condition | Store below +30°C. |
| Refractive Index | 1.4450 (estimate) |
| MDL | MFCD00001464 |
Trans-1,2-Cyclohexanedicarboxylicacid - 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. |
| WGK Germany | 3 |
| RTECS | GU9065000 |
| TSCA | Yes |
| HS Code | 29172000 |
Trans-1,2-Cyclohexanedicarboxylicacid - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Use | Trans -1, 2-cyclohexanedicarboxylic acid (1) is an important intermediate in the synthesis of lurasidone (lurasidone), and is also used as a reagent in the synthesis of new sodium cyclopentamamide channel blockers as a potential treatment for chronic pain. |
| preparation method | trans -1, 2-cyclohexanedicarboxylic acid is prepared by catalytic hydrogenation, resolution and acidification using phthalic anhydride as raw material. the optical purity (ee value) of the obtained product is 99.8% and the total yield is 40%. Can meet the requirements of quality and industrialization. The reaction formula is as follows: Figure the route map of synthesis of trans-1, 2-cyclohexanedicarboxylic acid |
Last Update：2024-04-10 22:29:15
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