| Identification | More | [Name]
4-Phenoxybutyl bromide | [CAS]
1200-03-9 | [Synonyms]
1-BROMO-4-PHENOXYBUTANE
4-BROMOBUTYL PHENYL ETHER
4-PHENOXYBUTYL BROMIDE
(4-Bromobutoxy)benzene
Ether, 4-bromobutyl phenyl
Phenoxybutyl bromide
1-Bromo-4
4-Bromobutyl phenyl ether~4-Phenoxybutyl bromide
4-Phenoxybutyl bromide, (4-Bromobutyl phenyl ether
4-Bromo-1-phenoxybutane
4-PHENOXYBUTYLBROMIDE 96%
Benzene, (4-bromobutoxy)-
(4-Bromobutoxy)benzene, 4-Phenoxybutyl bromide, Phenoxybutyl bromide
4-Phenoxy-1-bromobutane
-Phenoxy-4-bromobutane | [EINECS(EC#)]
214-849-1 | [Molecular Formula]
C10H13BrO | [MDL Number]
MFCD00000262 | [Molecular Weight]
229.11 | [MOL File]
1200-03-9.mol |
| Chemical Properties | Back Directory | [Appearance]
OFF-WHITE CRYSTALLINE MASS | [Melting point ]
41-43 °C(lit.)
| [Boiling point ]
153-156 °C18 mm Hg(lit.)
| [density ]
1.3236 (rough estimate) | [refractive index ]
1.5310 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to lump | [color ]
White to Almost white | [Water Solubility ]
Insoluble in water. | [BRN ]
2044374 | [InChI]
InChI=1S/C10H13BrO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2 | [InChIKey]
QBLISOIWPZSVIK-UHFFFAOYSA-N | [SMILES]
C1(OCCCCBr)=CC=CC=C1 | [CAS DataBase Reference]
1200-03-9(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, (4-bromobutoxy)-(1200-03-9) | [EPA Substance Registry System]
Benzene, (4-bromobutoxy)- (1200-03-9) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29093038 | [Storage Class]
13 - Non Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
OFF-WHITE CRYSTALLINE MASS | [Uses]
(4-Bromobutoxy)benzene is used to produce 5-phenoxy-valeric acid with carbon dioxide and reagent Mg. | [Synthesis]
General procedure: In a 500 mL round-bottomed flask, phenol (50 g, 1 eq.), 1,4-dibromobutane (137.7 g, 1.2 eq.), and potassium carbonate (110.5 g, 1.5 eq.), which has been baked at 70 °C for about 2 hours and milled, are added sequentially at room temperature. Potassium iodide (5.5 g, based on 5% of the mass of potassium carbonate) was added under mechanical stirring. The reaction mixture was then warmed up to 80 °C and the reaction was continued at this temperature for 4 to 6 hours, during which the reaction progress was monitored by liquid chromatography. Upon completion of the reaction, the reaction solution was cooled to room temperature and filtered. The filtrates were combined at 40-45 °C and concentrated under reduced pressure at 0.09-0.1 MPa. The resulting crude product had a purity of 90.6% and was subsequently distilled under reduced pressure at 120-130 °C to collect the fractions.The recovery of 1,4-dibromobutane was 64.1% and the net yield of the target product, 4-phenoxybromobutane, was 96.1%. | [References]
[1] Patent: CN104447220, 2016, B. Location in patent: Paragraph 0024-0026
[2] Archiv der Pharmazie, 2009, vol. 342, # 12, p. 732 - 739
[3] Bioorganic and Medicinal Chemistry, 2010, vol. 18, # 3, p. 1244 - 1251
[4] Tetrahedron Letters, 2010, vol. 51, # 35, p. 4612 - 4616
[5] Chemical Communications, 2014, vol. 50, # 39, p. 5017 - 5019 |
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