tert-Butyl-d9-amine
- CAS No.
- 6045-08-5
- Chemical Name:
- tert-Butyl-d9-amine
- Synonyms
- Tert-Butylamine-D9;tert-Butyl-d?-amine;tert-Butyl-d9-amine;2-Amino-2-Methyl-D3-P;[2H9]-tert-Butyl-amine;tert-Butyl-d9-amine DCl;2-AMINO-2-METHYL-D3-PROPANE-D6;TERT-BUTYL-D9-AMINE, 98 ATOM % D;tert-Butyl-d9-amine;2-Amino-2-methyl-Ds-propane-1,1,1,3,3,3-D6
- CBNumber:
- CB9435654
- Molecular Formula:
- C4H2D9N
- Molecular Weight:
- 82.19
- MDL Number:
- MFCD00084112
- MOL File:
- 6045-08-5.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | -67 °C (lit.) |
|---|---|
| Boiling point | 46 °C (lit.) |
| Density | 0.933 g/mL at 25 °C |
| refractive index |
n |
| Flash point | 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] |
| UNSPSC Code | 12352116 |
| NACRES | NA.12 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |    GHS02,GHS05,GHS07 |
|---|---|
| Signal word | Danger |
| Hazard statements | H225-H302+H332-H314 |
| Precautionary statements | P210-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338 |
| 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 price More Price(5)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 486353 | tert-Butyl-d9-amine 98 atom % D | 6045-08-5 | 5G | $2470 | 2026-04-30 | Buy |
| Usbiological | 166729 | tert-Butyl-d9-amine | 6045-08-5 | 100mg | $425 | 2026-06-03 | Buy |
| TRC | B690777 | tert-Butyl-d9-amine | 6045-08-5 | 1g | $1485 | 2021-12-16 | Buy |
| American Custom Chemicals Corporation | RDL0014714 | TERT-BUTYL-D9-AMINE 95.00% | 6045-08-5 | 5MG | $496.58 | 2021-12-16 | Buy |
| Medical Isotopes, Inc. | D1161 | Tert-butyl-d9-amine | 6045-08-5 | 0.5g | $805 | 2021-12-16 | Buy |
tert-Butyl-d9-amine Chemical Properties, Uses, Production
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
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Chemsky（shanghai）International Co.,Ltd. | 021-50135380 | shchemsky@sina.com | China | 32273 | 50 |
| Shanghai Aladdin Bio-Chem Technology Co.,LTD | 400-6206333 13167063860 | anhua.mao@aladdin-e.com | China | 29985 | 65 |
| Clearsynth Labs Limited | +91-22-26355700 | info@clearsynth.com | India | 9656 | 58 |
| Sigma-Aldrich | 021-61415566 800-8193336 | orderCN@merckgroup.com | China | 51389 | 80 |
| Shanghai YuanYe Biotechnology Co., Ltd. | 15026964105 | 2881489226@qq.com | China | 89667 | 60 |
| Shandong Xiya Chemical Co., Ltd. | 4009903999 13395398332 | sales@xiyashiji.com | China | 20788 | 60 |
| Chengdu Huachun Technology Co., Ltd | 400-1166-196 15982826727 | cdhxsj@163.com | China | 14571 | 60 |
| Shanghai wechem chemical co., ltd | 18824865657 | 2684615189@qq.com | China | 428 | 58 |
| Shanghai Nafu Biotechnology Co., Ltd. | 021-58952328 13125124762 | sale@chemhui.com | China | 487 | 55 |
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