| Identification | More | [Name]
3-Phenoxypropyl bromide | [CAS]
588-63-6 | [Synonyms]
1-BROMO-3-PHENOXYPROPANE
2-(3'-BROMOPHENOXY)PROPANE
2-(3-BROMOPHENOXY)PROPANE
3-BROMOISOPROPOXYBENZENE
3-BROMOPHENYL ISOPROPYL ETHER
3-BROMOPHENYL ISOPROPYL KETONE
(3-BROMO-PROPOXY)-BENZENE
3-BROMOPROPYL PHENYL ETHER
3-ISOPROPOXY-1-BROMOBENZENE
3-PHENOXYBROMOPROPANE
3-PHENOXYPROPYL BROMIDE
BENZENE, (3-BROMOPROPOXY)-
ISOPROPYL 3-BROMOPHENYL KETONE
PHENYL 3-BROMOPROPYL ETHER
(3-bromopropoxy)-benzen
Ether, 3-bromopropyl phenyl
gamma-Phenoxypropyl bromide
3-Bromo-1-phenoxypropane
3-Phenoxypropyl
1-Bromo | [EINECS(EC#)]
209-623-4 | [Molecular Formula]
C9H11BrO | [MDL Number]
MFCD00070756 | [Molecular Weight]
215.09 | [MOL File]
588-63-6.mol |
| Chemical Properties | Back Directory | [Appearance]
lightbrown liquid | [Melting point ]
10-11 °C (lit.) | [Boiling point ]
130-134 °C/14 mmHg (lit.) | [density ]
1.365 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.546(lit.)
| [Fp ]
228 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform, DMSO (Slightly), Methanol (Slightly) | [form ]
Liquid | [color ]
Clear slightly brown | [Specific Gravity]
1.365 | [BRN ]
508978 | [InChI]
1S/C9H11BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 | [InChIKey]
NIDWUZTTXGJFNN-UHFFFAOYSA-N | [SMILES]
BrCCCOc1ccccc1 | [LogP]
3.290 (est) | [CAS DataBase Reference]
588-63-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, (3-bromopropoxy)-(588-63-6) | [EPA Substance Registry System]
588-63-6(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29093090 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back Directory | [Chemical Properties]
lightbrown liquid | [Uses]
3-Phenoxypropyl Bromide is a reagent used in the synthesis of damidines in the study of myotonic dystrophy. Also used in thepreparation pf phenoxyalkylbenzimidazoles with antitubercular activity. | [Synthesis]
General procedure for the synthesis of 3-phenoxybromopropane (26) from 1,3-dibromopropane and phenol: Phenol (1.0 g, 10.6 mmol) was dissolved in acetone (20 ml). To this solution anhydrous potassium carbonate (7.34 g, 53.1 mmol) and 1,3-dibromopropane (8.58 g, 42.5 mmol) were added. The reaction mixture was refluxed in an oil bath for 12 hours. Upon completion of the reaction, the potassium carbonate was removed by filtration and the solvent was subsequently removed by distillation under reduced pressure to give the crude product. The crude product was purified by column chromatography (eluent: ethyl acetate:hexane = 3:7) to give the final target product 26 (2.05 g, 90% yield). The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3): δ 2.24 (m, 2H), 3.54 (t, J=6.4 Hz, 2H), 4.03 (t, J=5.8 Hz, 2H), 6.86 (m, 3H), 7.21 (m, 2H). | [References]
[1] Bioorganic and Medicinal Chemistry, 2010, vol. 18, # 3, p. 1244 - 1251
[2] Chemical Communications, 2012, vol. 48, # 52, p. 6517 - 6519
[3] Patent: WO2013/163321, 2013, A1. Location in patent: Paragraph 000181
[4] Dyes and Pigments, 2010, vol. 84, # 2, p. 183 - 189
[5] European Journal of Medicinal Chemistry, 2012, vol. 53, p. 292 - 299 |
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