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| | 3,5-Di-tert-butyltoluene Basic information |
| Product Name: | 3,5-Di-tert-butyltoluene | | Synonyms: | 1,3-bis(1,1-dimethylethyl)-5-methylbenzene;1,3-di-tert-butyl-5-methyl-benzene;1,3-Ditert-butyl-5-methylbenzene;Benzene, 1,3-bis(1,1-dimethylethyl)-5-methyl-;Benzene, 1-methyl-3,5-bis-(1,1-dimethylethyl);benzene,1,3-bis(1,1-dimethylethyl)-5-methyl-;Toluene, 3,5-di-tert-butyl-;toluene,3,5-di-tert-butyl- | | CAS: | 15181-11-0 | | MF: | C15H24 | | MW: | 204.35 | | EINECS: | 239-230-3 | | Product Categories: | Arenes;Building Blocks;Organic Building Blocks | | Mol File: | 15181-11-0.mol |  |
| | 3,5-Di-tert-butyltoluene Chemical Properties |
| Melting point | 31-32 °C (lit.) | | Boiling point | 244 °C (lit.) | | density | 0.86 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.49(lit.) | | Fp | 196 °F | | storage temp. | Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | form | powder to lump to clear liquid | | color | White or Colorless to Light yellow | | BRN | 2043032 | | Henry's Law Constant | 3.7×10-3 mol/(m3Pa) at 25℃, Hiatt (2013) | | InChI | 1S/C15H24/c1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7/h8-10H,1-7H3 | | InChIKey | WIXDSJRJFDWTNY-UHFFFAOYSA-N | | SMILES | Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C |
| Risk Statements | 36/37/38 | | Safety Statements | 23-24/25 | | WGK Germany | 3 | | HS Code | 2902900000 | | Storage Class | 11 - Combustible Solids |
| | 3,5-Di-tert-butyltoluene Usage And Synthesis |
| Uses | 3,5-Di-tert-butyltoluene was used in the synthesis of 3,5-di-tert-butyl(bromomethyl)benzene. It was also used in the synthesis of di-tert-butylbenzoic acid. | | Uses | 3,5-Di-tert-butyltoluene was used in the synthesis of 3,5-di-tert-butyl(bromomethyl)benzene. It was also used in the synthesis of di-tert-butylbenzoic acid. | | Synthesis | General procedure for the synthesis of 3,5-di-tert-butyltoluene from 3,5-di-tert-butylbenzyl bromide: To a Schlenk flask was added an appropriate amount of complex 6 (0.05 mmol, 5.0 mol%) and the corresponding bromoaromatic (1.0 mmol). The flask was subjected to nitrogen displacement and vacuum cycling. Tetrahydrofuran (THF, 2.0 mL) and diethyl ether solution of tert-butylmagnesium chloride (0.75 mL, 1.5 mmol, 2.0 M in diethyl ether) were subsequently added. The flask was sealed and heated at 70 °C for 24 h or stirred at room temperature. After completion of the reaction, the mixture was cooled and the reaction was quenched by the addition of ammonium chloride (NH4Cl) solution. The mixture was extracted with dichloromethane and the organic layer was dried over anhydrous sodium sulfate (Na2SO4). N-dodecane was added as an internal standard and an aliquot was analyzed by gas chromatography-mass spectrometry (GC-MS). The structure of the coupling product was confirmed by GC-MS and nuclear magnetic resonance (NMR) analysis. The analytical data of the products were in agreement with the literature reports. | | References | [1] Journal of Organometallic Chemistry, 2013, vol. 729, p. 53 - 59 |
| | 3,5-Di-tert-butyltoluene Preparation Products And Raw materials |
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