2,4,6-TRI-TERT-BUTYLANILINE CAS 961-38-6
2,4,6-TRI-TERT-BUTYLANILINE Basic information
| Product Name: | 2,4,6-TRI-TERT-BUTYLANILINE |
| Synonyms: | 2,4,6-tri-t-Butylaniline;Aniline, 2,4,6-tri-tert-butyl-;Aniline, tri-tert-butyl-;TIMTEC-BB SBB000998;2,4,6-TRI-TERT-BUTYLANILINE;AKOS BC-0696;2,4,6-Tris(tert-butyl)aniline 99%;2,4,6-Tri-tert-butylaniline,95% |
| CAS: | 961-38-6 |
| MF: | C18H31N |
| MW: | 261.45 |
| EINECS: | 213-507-9 |
| Product Categories: | Building Blocks;C17 to C40+;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks;Anilines, Aromatic Amines and Nitro Compounds;Amines;C11 to C38;Nitrogen Compounds |
| Mol File: | 961-38-6.mol |
2,4,6-TRI-TERT-BUTYLANILINE Chemical Properties
| Melting point | 145-147 °C(lit.) |
| Boiling point | 302.0±21.0 °C(Predicted) |
| density | 0.896±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| form | powder to crystal |
| pka | 3.30±0.10(Predicted) |
| color | White to Light yellow |
| Water Solubility | Insoluble in water. |
| Sensitive | Light Sensitive |
| BRN | 2272612 |
| InChI | InChI=1S/C18H31N/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H3 |
| InChIKey | REJGDSCBQPJPQT-UHFFFAOYSA-N |
| SMILES | C1(N)=C(C(C)(C)C)C=C(C(C)(C)C)C=C1C(C)(C)C |
| CAS DataBase Reference | 961-38-6(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| RIDADR | 2811 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 2921490090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Chemical Properties | White to off-white powder |
| Uses | 2,4,6-Tri-tert-butylnitrobenzene (bulky amine) is used in the synthesis of monomeric iminophosphorane |
| Uses | 2,4,6-Tri-tert-butylnitrobenzene (bulky amine) was used in the synthesis of monomeric iminophosphorane. |
| Definition | ChEBI: 2,4,6-tri-tert-butylaniline is an alkylbenzene. |
| Synthesis | 4074-25-3 961-38-6 The general procedure for the synthesis of 2,4,6-tri-tert-butylaniline from 2,4,6-tri-tert-butylnitrobenzene was as follows: in a 4 mL glass reaction flask equipped with a septum cap and a magnetic stirring bar, Co-Co3O4Chit-700 catalyst (10 mg, 3.4 mol/kg Co), nitroaromatic hydrocarbons (0.5 mmol, 1.0 equiv), triethylamine ( 35 μL, 0.25 mmol, 0.5 equiv), and EtOH/H2O (3:1, 2 mL) mixed solvent. The reaction vial was placed in a 300 mL autoclave and pressurized to 40 bar after five displacements with hydrogen. The reaction mixture was stirred at 110 °C until the reaction was complete. At the end of the reaction, it was cooled to room temperature and the pressure in the autoclave was slowly released. The crude reaction mixture was filtered through a cotton fitted pipette and the filtrate was concentrated under reduced pressure. The crude product was purified by silica gel column chromatography (eluent: ethyl acetate), and pure 2,4,6-tri-tert-butylaniline derivatives were obtained after removing the solvent under reduced pressure. Using the catalyst of the present invention, efficient preparation of the target aniline derivatives from the corresponding nitroaromatics can be realized. |
| References | [1] ChemSusChem, 2017, vol. 10, # 15, p. 3035 - 3039 [2] Patent: WO2018/114777, 2018, A1. Location in patent: Page/Page column 31-32 [3] Journal of the American Chemical Society, 1991, vol. 113, # 22, p. 8437 - 8443 [4] Journal of the American Chemical Society, 1982, vol. 104, # 25, p. 7191 - 7195 [5] Chemistry - A European Journal, 2017, vol. 23, # 59, p. 14738 - 14742 |
2,4,6-TRI-TERT-BUTYLANILINE Preparation Products And Raw materials
| Raw materials | 2,4,6-TRI-TERT-BUTYLNITROBENZENE-->Triethylamine-->Hydrogen-->Ethanol-->Water |
| Preparation Products | 1-BROMO-2,4,6-TRI-TERT-BUTYLBENZENE-->2,6-DITERT-BUTYL-4-NITROANILINE |
