| Identification | More | [Name]
5-Bromo-1-tetralone | [CAS]
68449-30-9 | [Synonyms]
5-BROMO-1-TETRALONE
5-BROMO-3,4-DIHYDRO-1(2H)-NAPHTHALENONE
5-BROMO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
5-BROMOTETRALONE
5-Bromo-3,4-dihydro-2H-naphthalen-1-one
5-BROMO-A-TETRALONE | [Molecular Formula]
C10H9BrO | [MDL Number]
MFCD02179288 | [Molecular Weight]
225.08 | [MOL File]
68449-30-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
47-48 °C(Solv: methanol (67-56-1)) | [Boiling point ]
105-110 °C(Press: 0.3 Torr) | [density ]
1.511±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMF: 10 mg/ml; DMSO: 10 mg/ml; Ethanol: 2 mg/ml; PBS (pH 7.2): .15 mg/ml | [form ]
A crystalline solid | [color ]
Yellow to brown | [InChI]
InChI=1S/C10H9BrO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1,4-5H,2-3,6H2 | [InChIKey]
DMXOUYZZHVHEQR-UHFFFAOYSA-N | [SMILES]
C1(=O)C2=C(C(Br)=CC=C2)CCC1 | [CAS DataBase Reference]
68449-30-9(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Description]
5-Bromotetralone is a synthetic intermediate useful for pharmaceutical synthesis. | [Uses]
5-Bromotetralone (5-Bromo-3,4-dihydro-2H-naphthalen-1-one) is a synthetic intermediate useful for pharmaceutical synthesis. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 49, p. 4226, 1984 DOI: 10.1021/jo00196a024 | [Synthesis]
7-Bromo-3,4-dihydro-2H-1-naphthalenone and 5-bromo-1-tetrahydronaphthalenone were synthesized using 1-tetralone as starting material with reference to the methodology reported by Cornelius, L.A.M. and Combs, D.W. in Synthetic Communications 1994, 24, 2777-2788. The procedure was as follows: the isomers in the reaction mixture were separated by silica gel fast chromatography (using a Biotage Flash 75 system with an elution solvent ratio of 20:1 hexane/methyl tert-butyl ether) to afford 5-bromo-1-tetralone (11.59 g, 51% yield) and 7-bromo-1-tetralone (9.45 g, 42% yield), respectively. | [References]
[1] Patent: WO2005/95326, 2005, A2. Location in patent: Page/Page column 110-111
[2] Patent: WO2004/94384, 2004, A2. Location in patent: Page 63-64
[3] Patent: WO2004/94413, 2004, A1. Location in patent: Page 63-64
[4] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 1, p. 29 - 35
[5] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 16, p. 4405 - 4409 |
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