3-methyl-1-nitrobutane
- CAS No.
- 627-67-8
- Chemical Name:
- 3-methyl-1-nitrobutane
- Synonyms
- 1-Nitro-3-methylbutane;4-Nitro-2-methylbutane;3-methyl-1-nitrobutane;Butane, 3-methyl-1-nitro-
- CBNumber:
- CB1890187
- Molecular Formula:
- C5H11NO2
- Molecular Weight:
- 117.15
- MDL Number:
- MFCD18910255
- MOL File:
- 627-67-8.mol
- MSDS File:
- SDS
| Melting point | 97°C |
|---|---|
| Boiling point | 168.95°C (estimate) |
| Density | 0.9458 |
| refractive index | 1.4153 |
| pka | 8.65±0.29(Predicted) |
| LogP | 1.800 (est) |
| FDA UNII | 2044IXU3WI |
3-methyl-1-nitrobutane Chemical Properties,Uses,Production
Preparation
Synthesis of 3-methyl-1-nitrobutane: Isopentyl bromide (120.84 g, 0.80 mol) was added dropwise to a mechanical stirred solution of sodium nitrite (110.39g, 1.60 mol) in DMF (500 mL) at 0°C. The reaction mixture was mechanically stirred overnight at room temperature. Water (1 L) was added to the mixture. The mixture was extracted with pet. ether (4 x 150 mL). The combined organic phases were washed with water (2 x 150 mL). The organic phase was dried with Na2SO4 then the solvent was evaporated under reduced pressure. Distillation under vacuum gave 30.2g (32%) of the colorless nitroalkane 3-methyl-1-nitrobutane (b.p. 58 - 60°C 21 mmHg)
Not visible on TLC IR (neat) ν 2962, 1549, 1470, 1434, 1434, 1381, 1211, 1133, 851 cm-1 . 1H NMR (500 MHz, CDCl3) a 0.96 (d, J = 6.7 Hz, 6 H), 1.69 (h, J = 6.7Hz, 1 H), 1.91 (q, J = 7.2 Hz, 2 H), 4.41 (t, J = 7.3 Hz, 2 H). 13C NMR (125 MHz, CDCl3) a = 21.9, 25.5, 35.9, 74.2
Definition
ChEBI: 3-methyl-1-nitrobutane is a primary nitroalkane that is 2-methylbutane substituted by a nitro group at position 4. It is a herbivore-induced plant volatile found in the leaves of Oenothera biennis. It has a role as a plant metabolite. It is a primary nitroalkane and a volatile organic compound.
3-methyl-1-nitrobutane Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Accela ChemBio Inc. | +1-858-6993322 | info@accelachem.com | United States | 19825 | 58 |
| Suzhou ARTK Medchem Co., Ltd. | +86-512-68323658 +86-18168183658 | sales1@artkmedchem.com | China | 39003 | 58 |
| DAYANG CHEM (HANGZHOU) CO.,LTD | +8617705817739 | info@dycnchem.com | China | 53881 | 58 |
| Amadis Chemical Company Limited | 571-89925085 | sales@amadischem.com | China | 131957 | 58 |
| PharmaBlock Sciences (Nanjing),Inc. | 025-86918202 4000255188 | sales@pharmablock.com | China | 4986 | 55 |
| Accela ChemBio Co.,Ltd. | 021-50795510 4000665055 | sales@accelachem.com | China | 11616 | 64 |
| Shanghai YuanYe Biotechnology Co., Ltd. | 021-61312847; 18021002903 | 3008007409@qq.com | China | 71829 | 60 |
| Aikon International Limited | 025-66061636 18013972705 | cfzhang@aikonchem.com | China | 15818 | 58 |
| SHANGHAI FDC-CHEMICAL CO.,LTD | 021-61469567 13482353728 | sales@fdc-chemical.com | China | 15538 | 58 |
| BOC Sciences | -- | info@bocsci.com | USA | 0 | 65 |