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| | 2,6-Di-tert-butyl-4-mercaptophenol Basic information |
| Product Name: | 2,6-Di-tert-butyl-4-mercaptophenol | | Synonyms: | 2,6-DI-TERT-BUTYL-4-THIOPHENOL;2,6-Di-tert-butyl-4-mercaptophenol;2,6-ditert-butyl-4-sulfanylphenol;2,6-ditert-butyl-4-sulfanyl-phenol;4-Mercapto-2,6-di-tert-butylphenol;Warfarin-002;4-hydroxy-3,5-di-tert-butylthiophenol;Phenol, 2,6-bis(1,1-dimethylethyl)-4-mercapto- | | CAS: | 950-59-4 | | MF: | C14H22OS | | MW: | 238.39 | | EINECS: | 213-451-5 | | Product Categories: | Phenol&Thiophenol&Mercaptan | | Mol File: | 950-59-4.mol |  |
| | 2,6-Di-tert-butyl-4-mercaptophenol Chemical Properties |
| storage temp. | 2-8°C, stored under nitrogen | | solubility | Dichloromethane, Diethylether, Ethyl Acetate, Hexanes | | form | solid | | Appearance | White to off-white Solid | | InChI | 1S/C14H22OS/c1-13(2,3)10-7-9(16)8-11(12(10)15)14(4,5)6/h7-8,15-16H,1-6H3 | | InChIKey | NFVMNXZFSKGLDR-UHFFFAOYSA-N | | SMILES | OC(C(C(C)(C)C)=CC(S)=C1)=C1C(C)(C)C |
| WGK Germany | WGK 3 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | 2,6-Di-tert-butyl-4-mercaptophenol Usage And Synthesis |
| Uses | A possible inhibitor of DNA-benzo[a]pyrene adducts formation and benzopyrene activation. | | Synthesis | A dry THF (30 mL) solution of 2,6-di-tert-butyl-4-thiocyanatophenol (10.0 g, crude) was slowly added dropwise to a suspension of tetrahydrolithium aluminum (2.0 g, 52.6 mmol) in THF (50 mL) at 0 C. The reaction was kept at 0 C for 5 h. The reaction was quenched by the slow addition of EtOAc (20 mL), followed by the addition of 3NHCl (50 mL), EtOAc (200 mL), and partitioning of the organic phase. The organic phase was washed with saturated NaHCO3 and brine, respectively, and dried over anhydrous sodium sulfate. The crude product was passed over a chromatographic column (silica gel, EtOAc: PE = 1:10 to 1:5) to give the product 2,6-di-tert-butyl-4-mercaptophenol (5.4 g), a yellow waxy solid. |
| | 2,6-Di-tert-butyl-4-mercaptophenol Preparation Products And Raw materials |
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