spiro<3.3>heptane-3-carboxylic acid manufacturers
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| | spiro<3.3>heptane-3-carboxylic acid Basic information | | Uses |
| Product Name: | spiro<3.3>heptane-3-carboxylic acid | | Synonyms: | spiro<3.3>heptane-3-carboxylic acid;Spiro[3.3]heptane-2-carboxylic acid - S11733;Spiro[3.3]heptane-2-carboxylic acid (7CI, 8CI, 9CI, ACI);3.3>;heptane-3-carboxylic acid;spiro< | | CAS: | 28114-87-6 | | MF: | C8H12O2 | | MW: | 140.18 | | EINECS: | 816-875-4 | | Product Categories: | | | Mol File: | 28114-87-6.mol |  |
| | spiro<3.3>heptane-3-carboxylic acid Chemical Properties |
| Melting point | 25 °C | | Boiling point | 256.8±8.0 °C(Predicted) | | density | 1.17±0.1 g/cm3(Predicted) | | storage temp. | 2-8°C | | form | liquid | | pka | 4.77±0.20(Predicted) | | color | Colourless | | InChI | InChI=1S/C8H12O2/c9-7(10)6-4-8(5-6)2-1-3-8/h6H,1-5H2,(H,9,10) | | InChIKey | FUQHLUSGMOSPRQ-UHFFFAOYSA-N | | SMILES | C1C2(CCC2)CC1C(O)=O |
| | spiro<3.3>heptane-3-carboxylic acid Usage And Synthesis |
| Uses | Spiro[3.3]heptane-2-carboxylic acid is a carboxylic acid derivative that can be used as a pharmaceutical intermediate. | | Synthesis | The general procedure for the synthesis of spiro[3.3]heptane-2,2-dicarboxylic acid from spiro[3.3]heptane-2,2-dicarboxylic acid was as follows: spiro[3.3]heptane-2,2-dicarboxylic acid (1.737 g, 9.43 mmol) was dissolved in pyridine (20 mL) and the reaction was heated at 115 °C overnight. Upon completion of the reaction, the mixture was cooled to room temperature and concentrated to dryness in a rotary evaporator. The resulting residue was treated with 6 M aqueous hydrochloric acid and subsequently extracted with dichloromethane (3 x 20 mL). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated to dryness to afford spiro[3.3]heptane-2-carboxylic acid (1.21 g, 92% yield). The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 11.98 (s, 1H), 2.85 (m, 1H), 2.15-2.03 (m, 4H), 1.96 (t, J = 7.3 Hz, 2H), 1.84 (t, J = 7.3 Hz, 2H), 1.76-1.70 (m, 2H). | | References | [1] Patent: US2014/275080, 2014, A1. Location in patent: Paragraph 0368
[2] Justus Liebigs Annalen der Chemie, 1961, vol. 648, p. 36 - 50 |
| | spiro<3.3>heptane-3-carboxylic acid Preparation Products And Raw materials |
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