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| | 2-Iodo-1,3-dimethylbenzene Basic information |
| | 2-Iodo-1,3-dimethylbenzene Chemical Properties |
| Melting point | 11.2°C | | Boiling point | 223-224 °C (lit.) | | density | 1.608 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.6030(lit.) | | Fp | 216 °F | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Oil | | color | Clear Pale Yellow | | Water Solubility | insoluble | | Sensitive | Light Sensitive | | BRN | 1857414 | | InChI | 1S/C8H9I/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3 | | InChIKey | QTUGGVBKWIYQSS-UHFFFAOYSA-N | | SMILES | Cc1cccc(C)c1I | | CAS DataBase Reference | 608-28-6(CAS DataBase Reference) | | NIST Chemistry Reference | Benzene, 2-iodo-1,3-dimethyl-(608-28-6) | | EPA Substance Registry System | Benzene, 2-iodo-1,3-dimethyl- (608-28-6) |
| Hazard Codes | Xi,C | | Risk Statements | 37/38-41-36/37/38 | | Safety Statements | 26-36-37/39 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 29039990 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| | 2-Iodo-1,3-dimethylbenzene Usage And Synthesis |
| Chemical Properties | clear green-brown to brown liquid | | Uses | 2-Iodo-m-xylene is used in the preparation of p-(arylethynyl)arylpropanoic acid derivatives as free fatty acid receptor 1 agonists with low lipophilicity and high oral bioavailability. | | Synthesis | General procedure for the synthesis of 2-iodo-1,3-dimethylbenzene using 2,6-dimethylphenylboronic acid as starting material: arylboronic acid (0.5 mmol) and K2CO3 (1 mmol, 138.0 mg) were added to a 20 mL Schlenk tube fitted with a non-magnetic stir bar. The reaction tube was evacuated and filled with nitrogen and this operation was repeated twice. Acetonitrile (2 mL) and iodine (0.75 mmol, 191 mg) were added to the reaction tube at room temperature. The reaction tube was sealed and placed in an oil bath preheated to 80 °C for 8-12 h under nitrogen protection. Upon completion of the reaction, the reaction solution was cooled to room temperature. Water (10 mL) was added for dilution. For the products 2s and 2t, the pH needed to be adjusted to 2 by adding 1 M HCl to the aqueous phase before extraction. the aqueous phase was extracted with ethyl acetate (3 x 5 mL). The organic phases were combined, dried with anhydrous Na2SO4, filtered and concentrated by rotary evaporation. Finally, the residue was purified by silica gel column chromatography to give the target products 2a-v. | | References | [1] Synlett, 2014, vol. 25, # 7, p. 995 - 1000 |
| | 2-Iodo-1,3-dimethylbenzene Preparation Products And Raw materials |
| Raw materials | 2,5-DIIODO-1,3-DIMETHYLBENZENE-->1-Iodo-3,5-dimethylbenzene-->2,6-Dimethylphenylboronic acid-->Acetonitrile-->Phenol-->iodine-->Potassium carbonate | | Preparation Products | 2,6-DIMETHYLACETOPHENONE-->1,3-DIMETHYL-2-ETHYLBENZENE-->2,6-Dimethylfluorobenzene-->Diacetoxy(2,6-dimethylphenyl)-λ3-iodane-->3-(2,6-DIMETHYLBENZOYL)THIOPHENE-->2,6-dimethylbenzenepropanol-->2,6-DIMETHYL-4'-METHOXYBENZOPHENONE |
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