3,3-Dimethylallyl bromide
Synonym(s):1-Bromo-3-methyl-2-butene;Prenyl bromide
- CAS NO.：870-63-3
- Empirical Formula: C5H9Br
- Molecular Weight: 149.03
- MDL number: MFCD00000242
- EINECS: 212-799-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-03-10 17:18:44
What is 3,3-Dimethylallyl bromide?
Chemical properties
3,3-Dimethylallyl bromide is colourless liquid
The Uses of 3,3-Dimethylallyl bromide
3,3-Dimethylallyl bromide is a useful source of the 3,3-dimethylallyl or prenyl group for the synthesis of natural products1 and in the synthesis of base-modified pyrimidine nucleosides.2
The Uses of 3,3-Dimethylallyl bromide
3,3-Dimethylallyl bromide has been used in the preparation of:
- (±)-eldanolide
- 1-(3,3-dimethylallyl)-L-tryptophan
- (±)-fumagillin, antibiotic isolated from Aspergillus fumigattus
The Uses of 3,3-Dimethylallyl bromide
3,3-Dimethylallyl bromide was used in the synthesis of 1- and 2-allylic-3-methylindoles. It was also used in the synthesis of products and base-modified pyrimidine nucleosides.
Properties of 3,3-Dimethylallyl bromide
| Melting point: | -106.7°C (estimate) |
| Boiling point: | 82-83 °C150 mm Hg(lit.) |
| Density | 1.29 g/mL at 20 °C(lit.) |
| refractive index | n |
| Flash point: | 88 °F |
| storage temp. | 2-8°C |
| form | Liquid |
| Specific Gravity | 1.27 |
| color | Clear colorless, yellow or brown |
| Water Solubility | Immiscible with water |
| Sensitive | Light Sensitive |
| BRN | 1420778 |
| CAS DataBase Reference | 870-63-3(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Butene, 1-bromo-3-methyl-(870-63-3) |
| EPA Substance Registry System | 2-Butene, 1-bromo-3-methyl- (870-63-3) |
Safety information for 3,3-Dimethylallyl bromide
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Corrosion Corrosives GHS05  Environment GHS09 |
| GHS Hazard Statements |
H226:Flammable liquids H314:Skin corrosion/irritation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3,3-Dimethylallyl bromide
| InChIKey | LOYZVRIHVZEDMW-UHFFFAOYSA-N |
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