- 3-Bromobenzyl bromide
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- $30.00
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2025-06-27
- CAS:823-78-9
- Min. Order: 50KG
- Purity: 99%
- Supply Ability: 500000kg
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| | 3-Bromobenzyl bromide Basic information |
| | 3-Bromobenzyl bromide Chemical Properties |
| Melting point | 39-41 °C(lit.) | | Boiling point | 130 °C12 mm Hg | | density | 1,56 g/cm3 | | refractive index | 1.6066 (estimate) | | Fp | >230 °F | | storage temp. | Keep in dark place,Inert atmosphere,2-8°C | | solubility | Chloroform (Sparingly), Methanol (Slightly) | | form | Adhering Crystals or Crystalline Powder | | color | White | | Water Solubility | Insoluble in water. | | BRN | 2078683 | | InChI | InChI=1S/C7H6Br2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2 | | InChIKey | ZPCJPJQUVRIILS-UHFFFAOYSA-N | | SMILES | C1(Br)=CC=CC(CBr)=C1 | | CAS DataBase Reference | 823-78-9(CAS DataBase Reference) | | EPA Substance Registry System | Benzene, 1-bromo-3-(bromomethyl)- (823-78-9) |
| Hazard Codes | C | | Risk Statements | 34-37 | | Safety Statements | 26-36/37/39-45-25 | | RIDADR | UN 3261 8/PG 2 | | WGK Germany | 3 | | F | 19 | | TSCA | TSCA listed | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29036990 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Skin Corr. 1B |
| | 3-Bromobenzyl bromide Usage And Synthesis |
| Chemical Properties | White to yellow solid | | Uses | 3-Bromobenzyl bromide was used in the synthesis of, 1,7-di(3-bromobenzyl)cyclen and substituted 8-arylquinoline, phosphodiesterase 4 (PDE4) inhibitors. | | Uses | 3-Bromobenzyl bromide was used in the synthesis of:
- 1,7-di(3-bromobenzyl)cyclen
- substituted 8-arylquinoline, phosphodiesterase 4 (PDE4) inhibitors
| | General Description | 3-Bromobenzyl bromide undergoes reduction with diethylzinc in the presence of Pd(PPh3)4 to yield corresponding hydrocarbon. | | Synthesis | General procedure for the synthesis of 3-bromobenzyl bromide from 3-bromomethylbenzene: To a mixture of N-bromosuccinimide (NXS) and substrate (1 or 6) in acetonitrile (CH3CN), silicon tetrachloride (SiCl4) was slowly added at room temperature, and the reaction mixture was stirred continuously until thin-layer chromatography (TLC) monitoring showed complete disappearance of the feedstock. Subsequently, the reaction mixture was poured into water and extracted with dichloromethane (CH2Cl2). All organic phase extracts were combined and dried with anhydrous magnesium sulfate (MgSO4), followed by concentration under reduced pressure to remove the solvent. The residue was purified by recrystallization (petroleum ether-ether, 3:1) to give the pure products 2b-2g or 3b; or by silica gel column chromatography (hexane-ethyl acetate, 10:1 or 30:1) to give the pure products 2a, h, i, 3a-5 or 7-9. | | References | [1] Journal of Organic Chemistry, 2014, vol. 79, # 1, p. 223 - 229
[2] Synthetic Communications, 2010, vol. 40, # 7, p. 998 - 1003
[3] Tetrahedron Letters, 2011, vol. 52, # 31, p. 4026 - 4029
[4] Patent: US2009/12171, 2009, A1. Location in patent: Page/Page column 11
[5] Patent: WO2005/105736, 2005, A1. Location in patent: Page/Page column 28 |
| | 3-Bromobenzyl bromide Preparation Products And Raw materials |
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