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| | TERT-BUTYL-D9-AMINE Basic information |
| Product Name: | TERT-BUTYL-D9-AMINE | | Synonyms: | TERT-BUTYL-D9-AMINE, 98 ATOM % D;2-Propan-1,1,1,3,3,3-d6-amine, 2-(methyl-d3)-;TERT-BUTYL-D9-AMINE;Tert-Butylamine-D9;2-AMINO-2-METHYL-D3-PROPANE-1,1,1,3,3,3-D6;2-AMINO-2-METHYL-D3-PROPANE-D6;2-Amino-2-Methyl-D3-P;[2H9]-tert-Butyl-amine | | CAS: | 6045-08-5 | | MF: | C4H2D9N | | MW: | 82.19 | | EINECS: | | | Product Categories: | 13C & 2H Sugars | | Mol File: | 6045-08-5.mol |  |
| | TERT-BUTYL-D9-AMINE Chemical Properties |
| Melting point | -67 °C (lit.) | | Boiling point | 46 °C (lit.) | | density | 0.933 g/mL at 25 °C | | refractive index | n20/D 1.401(lit.) | | Fp | 16 °F | | storage temp. | 0-6°C | | solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) | | form | Oil | | color | Colourless to Yellow | | Stability: | Volatile | | InChI | 1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3/i1D3,2D3,3D3 | | InChIKey | YBRBMKDOPFTVDT-GQALSZNTSA-N | | SMILES | [2H]C([2H])([2H])C(N)(C([2H])([2H])[2H])C([2H])([2H])[2H] |
| Hazard Codes | F,C | | Risk Statements | 11-20/22-35 | | Safety Statements | 26-36/37/39-45 | | RIDADR | UN 3286 3/PG 2 | | WGK Germany | 3 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Acute Tox. 3 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Dam. 1
Flam. Liq. 2
Skin Corr. 1A |
| | TERT-BUTYL-D9-AMINE Usage And Synthesis |
| Chemical Properties | Clear Colourless Oil | | Uses | tert-Butylamine is common reagent in pharmaceuticals syntheses. Used in the preparation of aminoBODIPY compounds for chemical analyses. Also it aids in the synthesis of benzylurea-based insecticides c
ontaining amide and sulfonate groups. It has also been used in the synthesis of BPTES analogs, that act as glutaminase inhibitors, which can attenuate the growth of human lymphoma B cells. This is the
labeled analog. | | Synthesis | In a 100 mL flask with a thermometer and condenser tube, 3.607 g (0.1 mol) of methanol-D4 was added and cooled to 0
C. Under stirring conditions, 38.071 g (0.15 mol) of iodine, and an appropriate amount of red phosphorus were added slowly in batches, and at the end of the reaction, was obtained by distillation.
of iodomethane-D3, and then use the above-prepared iodomethane-D3 to prepare into a format reagent, and slowly add 6.412 g of dropwise at 2 C
(0.1 mol) acetone-D6, and the reaction was carried out at room temperature for 3 h. The reaction was quenched by dilute hydrochloric acid to obtain tert-butanol-D6. The obtained tert-butanol-D6 was distilled
After purification, the reaction temperature was controlled at -10 , 7.722 g (0.15 mol) of iminium chloride was added dropwise to tert-butanol-D6 and the catalyst, and the dropwise was added.
After the addition was completed, the reaction was continued for 2h, and the reaction solution was distilled to obtain 3.734g of tert-butylamine-D9 product, with a yield of by methanol-D4
45.4% in methanol-D4, the chromatographic purity was more than 99.0%, and the abundance of D isotope was 98.8atom%D by mass spectrometry. |
| | TERT-BUTYL-D9-AMINE Preparation Products And Raw materials |
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