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| | 1-(2-BROMOETHYL)-4-FLUOROBENZENE Basic information |
| | 1-(2-BROMOETHYL)-4-FLUOROBENZENE Chemical Properties |
| Boiling point | 100-104 °C15 mm Hg(lit.) | | density | 1.4498 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.534(lit.) | | Fp | 200 °F | | storage temp. | Sealed in dry,Room Temperature | | form | Liquid or Low Melting Solid | | color | Clear colorless to light yellow or white to pale yellow | | InChI | 1S/C8H8BrF/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2 | | InChIKey | FLRUNCJXOVYWDH-UHFFFAOYSA-N | | SMILES | Fc1ccc(CCBr)cc1 | | CAS DataBase Reference | 332-42-3(CAS DataBase Reference) |
| Hazard Codes | Xn,N | | Risk Statements | 22-51/53 | | Safety Statements | 61 | | RIDADR | UN 3082 9 / PGIII | | WGK Germany | 2 | | HazardClass | 9 | | HS Code | 29039990 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Oral |
| | 1-(2-BROMOETHYL)-4-FLUOROBENZENE Usage And Synthesis |
| Chemical Properties | Clear slightly yellow liquid | | Uses | An intermediate in the production of protein A mimetics, serotonin antagonists, and other CNS agents | | Synthesis | Preparative Example 1 Synthesis of 4-fluorophenethyl bromide: Triphenylphosphine (222 g) and N-bromosuccinimide (151 g) were sequentially added to a solution of 4-fluorophenylethanol (100 g) in dichloromethane (1 L) under cooling conditions in an ice bath and the reaction was carried out with continuous stirring for 1 hour. Upon completion of the reaction, the resulting solution was concentrated under reduced pressure and the precipitated crystals were subsequently filtered. The filtrate was further concentrated to afford the target product 4-fluorobromoethylbenzene (133 g) as a colorless oil (yield: 92%). The product was characterized by 1H-NMR (400 MHz, CDCl3): δ (ppm) 3.14 (2H, t, J = 8 Hz), 3.54 (2H, t, J = 8 Hz), 6.98-7.03 (2H, m), 7.15-7.18 (2H, m). | | References | [1] Journal of Organic Chemistry, 2006, vol. 71, # 18, p. 7035 - 7044
[2] Tetrahedron Asymmetry, 2001, vol. 12, # 4, p. 585 - 596
[3] Patent: US2002/19531, 2002, A1
[4] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 8, p. 2989 - 3002
[5] Patent: EP2508526, 2012, A1. Location in patent: Page/Page column 48 |
| | 1-(2-BROMOETHYL)-4-FLUOROBENZENE Preparation Products And Raw materials |
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