|
|
| | 2,4-HEXADIYNE-1,6-DIOL Basic information |
| Product Name: | 2,4-HEXADIYNE-1,6-DIOL | | Synonyms: | 2,4-Hexadiynediol;Diacetylene glycol;TIMTEC-BB SBB008793;1,6-DIHYDROXY-2,4-HEXADIYNE;2,4-HEXADIENE-1,6-DIOL;2,4-HEXADIYN-1,6-DIOL;2,4-HEXADIYNE-1,6-DIOL;2,4-HEXADIYNE-1,6-DIOL 99+% | | CAS: | 3031-68-3 | | MF: | C6H6O2 | | MW: | 110.11 | | EINECS: | 221-210-0 | | Product Categories: | Acetylenes;Acetylenic Alcohols & Their Derivatives;Diyne Compounds (LB Films);Functional Materials;LB Films | | Mol File: | 3031-68-3.mol |  |
| | 2,4-HEXADIYNE-1,6-DIOL Chemical Properties |
| Melting point | 113-114 °C (lit.) | | Boiling point | 292.1±25.0 °C(Predicted) | | density | 1.234±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | solubility | soluble in Methanol | | form | powder to crystal | | pka | 12.26±0.10(Predicted) | | color | White to Light yellow to Light orange | | BRN | 773791 | | InChI | 1S/C6H6O2/c7-5-3-1-2-4-6-8/h7-8H,5-6H2 | | InChIKey | JXMQYKBAZRDVTC-UHFFFAOYSA-N | | SMILES | OCC#CC#CCO | | CAS DataBase Reference | 3031-68-3(CAS DataBase Reference) |
| Hazard Codes | F | | Risk Statements | 11 | | Safety Statements | 16-22-24/25 | | RIDADR | UN 1325 4.1/PG 2 | | WGK Germany | 3 | | F | 4.5-8 | | HazardClass | 4.1 | | PackingGroup | III | | HS Code | 29052900 | | Storage Class | 4.1B - Flammable solid hazardous materials | | Hazard Classifications | Flam. Sol. 1 |
| | 2,4-HEXADIYNE-1,6-DIOL Usage And Synthesis |
| Uses | 2,4-Hexadiyne-1,6-diol may be used as a starting material in the synthesis of thiarubrine A (an antibiotic). It may also be used to synthesize disodium salt of 2,4-hexadiyne 1,6-disulfate (HDDS). | | General Description | 2,4-Hexadiyne-1,6-diol can be prepared from propargyl alcohol. 2,4-Hexadiyne-1,6-diol readily undergoes polymerization when heated under vacuum or inert gas atmosphere. | | Synthesis | The reaction substrate acetylenic alcohol 0.112 g (2.0 mmol), triethylamine 0.202 g (2.0 mmol), and CuAl-LDH catalyst 0.29 g were weighed and placed together in a glass flask, and 10 mL of the organic solvent toluene was added, and the reaction was stirred for 16 hr at room temperature and pressure. After stopping the reaction, the reaction mixture solution in the flask was filtered. The filtered solid was washed with toluene for 2-3 times, then dried at 40-150 C for 2-20 h and used directly in the next catalytic cycle. The filtrate was combined with the washed solvent and concentrated by rotary evaporator, then separated over a silica gel column with hexane/ethyl acetate as eluent to give 2,4-diyne-1,6-hexanediol in 86% yield. |
| | 2,4-HEXADIYNE-1,6-DIOL Preparation Products And Raw materials |
|