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| | Trimethyl cis,cis-1,3,5-cyclohexanetricarboxylate Basic information |
| Product Name: | Trimethyl cis,cis-1,3,5-cyclohexanetricarboxylate | | Synonyms: | trimethyl cis,cis-cyclohexane-1,3,5-tricarboxylate;1,3,5-Cyclohexanetricarboxylicacid, 1,3,5-trimethyl ester, (1a,3a,5a)-;TRIMETHYL CIS-1,3,5-CYCLOHEXANETRICARBOXYLATE;TRIMETHYL CIS,CIS-1,3,5-CYCLOHEXANETRICARBOXYLATE;Trimethylcis-1,3,5-cyclohexanetricarboxylate,98%;1,3,5-Cyclohexanetricarboxylic acid trimethyl est;(1alpha,3alpha,5alpha)-1,3,5-Cyclohexanetricarboxylic acid trimethyl ester;1,3,5-Cyclohexanetricarboxylic acid, 1,3,5-trimethyl ester, (1α,3α,5α)- | | CAS: | 6998-83-0 | | MF: | C12H18O6 | | MW: | 258.27 | | EINECS: | | | Product Categories: | C12 to C63;Carbonyl Compounds;Esters | | Mol File: | 6998-83-0.mol |  |
| | Trimethyl cis,cis-1,3,5-cyclohexanetricarboxylate Chemical Properties |
| Melting point | 46-49 °C(lit.) | | Boiling point | 332.848±37.00 °C(Press: 760.00 Torr)(predicted) | | density | 1.177±0.06 g/cm3 (20 ºC 760 Torr) | | Fp | >230 °F | | InChI | InChI=1/C12H18O6/c1-16-10(13)7-4-8(11(14)17-2)6-9(5-7)12(15)18-3/h7-9H,4-6H2,1-3H3/t7-,8+,9- | | InChIKey | ZZNOMLSSCRBRJS-AYMMMOKOSA-N | | SMILES | [C@@H]1(C(=O)OC)C[C@@H](C[C@H](C(=O)OC)C1)C(=O)OC |&1:0,6,8,r| |
| | Trimethyl cis,cis-1,3,5-cyclohexanetricarboxylate Usage And Synthesis |
| Uses | Used as Organic Building Blocks. | | Synthesis | A mixture of 7.50 g (3.57 mmol) of trimesic acid, 1.0 g of 5% rhodium on alumina, and 150 mL of water was hydrogenated at 70 °C and 50 psi of H2. Uptake was complete in 48 h, and the filtrate was concentrated to give a white solid. Recrystallization from a 1:4 mixture of ethanol/toluene gave 4.50 g (20.8 mmol) of the Trimethyl cis,cis-1,3,5-cyclohexanetricarboxylate. Yield 58%. 1H NMR(500 MHz, CD3OD): δ 12.22 (br, 3H; 3COOH), 2.32 (tt, J= 3, 13 Hz; 3H, 3Hax′), 2.04 (d, J= 13 Hz, 3H; 3Heq), 1.19 (q, J= 13 Hz, 3H; 3Hax).
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| | Trimethyl cis,cis-1,3,5-cyclohexanetricarboxylate Preparation Products And Raw materials |
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