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2016-06-15 14h:19m:14s (EST)
O
1. Query Br
Search as: As drawn
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Reaxys ID 510459 View in Reaxys
1/1 CAS Registry Number: 49851-31-2 Chemical Name: α-bromovalerophenone; (+/-)-2-bromo-1-phenyl-1-pentanone; 2-bromo-1-phenyl-1-pentanone; 2-bromo-1phenylpentan-1-one; 2-bromovalerophenone; 2-bromo-1-phenyl-pentan-1-one; (α-Brom-butyl)-phenyl-keton Linear Structure Formula: C11H13OBr Molecular Formula: C11H13BrO Molecular Weight: 241.128 Type of Substance: isocyclic InChI Key: XOQFMNXQYSTQPE-UHFFFAOYSA-N Note:
O
Br
Substance Label (10) Label References 23
Kolanos; Sakloth; Jain; Partilla; Baumann; Glennon; ACS Chemical Neuroscience; vol. 6; nb. 10; (2015); p. 1726 - 1731, View in Reaxys
11
Bunescu, Ala; Piemontesi, Cyril; Wang, Qian; Zhu, Jieping; Chemical Communications; vol. 49; nb. 87; (2013); p. 10284 - 10286, View in Reaxys
21
Matsushita, Masatoshi; Takahashi, T. Tomoyoshi; Utsukihara, Takamitsu; Shimizu, Yohei; Jansen, Rob J.; Horiuchi, C. Akira; Tetrahedron; vol. 63; nb. 36; (2007); p. 8932 - 8938, View in Reaxys
3d
Meltzer, Peter C.; Butler, David; Deschamps, Jeffrey R.; Madras, Bertha K.; Journal of Medicinal Chemistry; vol. 49; nb. 4; (2006); p. 1420 - 1432, View in Reaxys
21b
Boswell, G. Evan; Musso, David L.; Kelley, James L.; Soroko, Francis E.; Cooper, Barret R.; Journal of Heterocyclic Chemistry; vol. 33; nb. 1; (1996); p. 33 - 40, View in Reaxys
3k
Satoh, Tsuyoshi; Itoh, Norifumi; Onda, Ken-ichi; Kitoh, Yasushi; Yamakawa, Koji; Bulletin of the Chemical Society of Japan; vol. 65; nb. 10; (1992); p. 2800 - 2806, View in Reaxys
6k
Satoh, Tsuyoshi; Onda, Ken-ichi; Itoh, Norifumi; Yamakawa, Koji; Tetrahedron Letters; vol. 32; nb. 40; (1991); p. 5599 - 5600, View in Reaxys
9
Durman, John; Grayson, J.Ian; Hunt, Paul G.; Warren, Stuart; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1986); p. 1939 - 1946, View in Reaxys
2, R= n-Pr
Kimpe, Norbert De; Verhe, Roland; Buyck, Laurent De; Schamp, N.; Tetrahedron Letters; vol. 21; (1980); p. 2257 - 2260, View in Reaxys
4
Patent; Goedecke AG; DE1593890; (1973); Chem.Abstr.; vol. 80; nb. 36840, View in Reaxys
Boiling Point (3) Boiling Point [°C]
Pressure (Boiling Point) [Torr]
Comment (Boiling References Point)
98 - 100
0.1
Patent; Goedecke AG; DE1593890; (1973); Chem.Abstr.; vol. 80; nb. 36840, View in Reaxys
159
22
Patent; Wander; GB927475; (1963); Chem.Abstr.; vol. 59; nb. 11431d; (1963), View in Reaxys
150
2.5
gelbe Fluessigkeit.
Hyde; Browning; Adams; Journal of the American Chemical Society; vol. 50; (1928); p. 2290, View in Reaxys
Refractive Index (1) Refractive Index Wavelength (Refractive Index) [nm]
Temperature (Refractive Index) [°C]
References
1.56
20
Hyde; Browning; Adams; Journal of the American Chemical Society; vol. 50; (1928); p. 2290, View in Reaxys
589
Density (1) 1 of 1
Density [g·cm-3]
1.3993
Reference Temperature [°C]
4
Measurement Temperature [°C]
20
Hyde; Browning; Adams; Journal of the American Chemical Society; vol. 50; (1928); p. 2290, View in Reaxys NMR Spectroscopy (4)
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1 of 4
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
300.53
Meltzer, Peter C.; Butler, David; Deschamps, Jeffrey R.; Madras, Bertha K.; Journal of Medicinal Chemistry; vol. 49; nb. 4; (2006); p. 1420 - 1432, View in Reaxys 2 of 4
Nucleus (NMR Spectroscopy)
1H
Original Text (NMR Spectroscopy)
IHNMR, <, s8. 02 (d, 2H), 7.62 (m, 1H), 7.49 (t, 2H), 5.15 (dd, 1H), 2.25-2. 05 (m, 2H), 1.7-1. 4 (m, 2H), 0. 99 (t, 3H).
Comment (NMR Spectroscopy)
Signals given
Patent; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; ORGANIX, INC.; WO2005/34878; (2005); (A2) English, View in Reaxys 3 of 4
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Satoh, Tsuyoshi; Itoh, Norifumi; Onda, Ken-ichi; Kitoh, Yasushi; Yamakawa, Koji; Bulletin of the Chemical Society of Japan; vol. 65; nb. 10; (1992); p. 2800 - 2806, View in Reaxys 4 of 4
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)
1H-1H
Satoh, Tsuyoshi; Itoh, Norifumi; Onda, Ken-ichi; Kitoh, Yasushi; Yamakawa, Koji; Bulletin of the Chemical Society of Japan; vol. 65; nb. 10; (1992); p. 2800 - 2806, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
1695 cm**(-1)
Satoh, Tsuyoshi; Itoh, Norifumi; Onda, Ken-ichi; Kitoh, Yasushi; Yamakawa, Koji; Bulletin of the Chemical Society of Japan; vol. 65; nb. 10; (1992); p. 2800 - 2806, View in Reaxys Mass Spectrometry (1) Description (Mass References Spectrometry) spectrum; electron impact (EI)
Satoh, Tsuyoshi; Itoh, Norifumi; Onda, Ken-ichi; Kitoh, Yasushi; Yamakawa, Koji; Bulletin of the Chemical Society of Japan; vol. 65; nb. 10; (1992); p. 2800 - 2806, View in Reaxys
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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