NMR inne nazwy

Overview

Reaxys
Query
Copyright

Sheet 1: Reaxys
Structure Structure: Markush Substance Identification: Reaxys Registry Number Chemical Name Molecular Formula CAS Registry Number Molecular Weight Linear Structure Formula Type of Substance Composition: Comp. Name InChIKey Field Availability Number of Reactions Number of References Substance Label: Label References Crossfile Reference: Data Type Name Crossfile Source External Access ID Comment References Boiling Point: Boiling Point [°C] Pressure [Torr] Comment References Refractive Index Wavelength [nm] Temperature [°C] Comment References Density of the Liquid Reference Temperature [°C] Measurement Temperature [°C] Comment References NMR Spectroscopy: Description Nucleus Coupling Nuclei Solvents Temperature [°C] Frequency [MHz] Original Text Comment References IR Spectroscopy: Description Solvent Temperature [°C] Original Text Comment References Mass Spectrometry: Description Comment References
COC(=O)C(C)(C)CC1=CC=CC=C1
2209134 View in Reaxys 2,2-dimethyl-3-phenylpropionic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropanoate;
2,2-dimethyl-3-phenyl-propionic acid methyl ester;
2,2-Dimethyl-3-phenyl-propionsaeure-methylester;
α,α-dimethyl-benzenepropanoic acid, methyl ester;
α,α-dimethyldihydrocinnamic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropionate		 C12H16O2 14248-22-7 192.258 C3H6CO2CH3C7H7 isocyclic
JWHXQYRCZPZNCW-UHFFFAOYSA-N Identification(15)
Physical Data(12)
Spectra(15)		 43 23 6c Journal; Giri, Ramesh; Maugel, Nathan; Li, Jiao-Jie; Wang, Dong-Hui; Breazzano, Steven P.; Saunders, Lindsey B.; Yu, Jin-Quan; Journal of the American Chemical Society; vol. 129; 12; (2007); p. 3510 - 3511; View in Reaxys
Benzenepropanoic acid, alpha,alpha-dimethyl-, methyl ester CRC Handbook of Chemistry and Physics 5216
Journal; Beilstein Handbook; View in Reaxys 115 13
Journal; Arnold, Richard T.; Kulenovic, Srdanka T.; Journal of Organic Chemistry; vol. 45; 5; (1980); p. 891 - 894; View in Reaxys 1.4939 589 21.5
Journal; Owen,J.R.; Saunders,W.H.; Journal of the American Chemical Society; vol. 88; (1966); p. 5809 - 5816; View in Reaxys 1.0043 4 25
Journal; McElvain; Aldridge; Journal of the American Chemical Society; vol. 75; (1953); p. 3987,3990; View in Reaxys Spectrum 1H
CDCl3
399.753
ambient temperature Journal; Giri, Ramesh; Maugel, Nathan; Li, Jiao-Jie; Wang, Dong-Hui; Breazzano, Steven P.; Saunders, Lindsey B.; Yu, Jin-Quan; Journal of the American Chemical Society; vol. 129; 12; (2007); p. 3510 - 3511; View in Reaxys Bands neat liquid


Journal; Giri, Ramesh; Maugel, Nathan; Li, Jiao-Jie; Wang, Dong-Hui; Breazzano, Steven P.; Saunders, Lindsey B.; Yu, Jin-Quan; Journal of the American Chemical Society; vol. 129; 12; (2007); p. 3510 - 3511; View in Reaxys spectrum; electron impact (EI)
Journal; Morris, David J.; Hayes, Aidan M.; Wills, Martin; Journal of Organic Chemistry; vol. 71; 18; (2006); p. 7035 - 7044; View in Reaxys
COC(=O)C(C)(C)CC1=CC=CC=C1
2209134 View in Reaxys 2,2-dimethyl-3-phenylpropionic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropanoate;
2,2-dimethyl-3-phenyl-propionic acid methyl ester;
2,2-Dimethyl-3-phenyl-propionsaeure-methylester;
α,α-dimethyl-benzenepropanoic acid, methyl ester;
α,α-dimethyldihydrocinnamic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropionate		 C12H16O2 14248-22-7 192.258 C3H6CO2CH3C7H7 isocyclic
JWHXQYRCZPZNCW-UHFFFAOYSA-N


3aa Journal; Nishimoto, Yoshihiro; Yasuda, Makoto; Baba, Akio; Organic Letters; vol. 9; 24; (2007); p. 4931 - 4934; View in Reaxys





112 - 126 14
Patent; Sandoz AG; CH592598; (1973); DE2449928; Chem.Abstr.; vol. 83; 192925; View in Reaxys 1.5014 589 25
Journal; Warrick,P.; Saunders,W.H.; Journal of the American Chemical Society; vol. 84; (1962); p. 4095 - 4100; View in Reaxys




Chemical shifts 1H
CDCl3
399.753
ambient temperature Journal; Giri, Ramesh; Maugel, Nathan; Li, Jiao-Jie; Wang, Dong-Hui; Breazzano, Steven P.; Saunders, Lindsey B.; Yu, Jin-Quan; Journal of the American Chemical Society; vol. 129; 12; (2007); p. 3510 - 3511; View in Reaxys Bands film


Journal; Morris, David J.; Hayes, Aidan M.; Wills, Martin; Journal of Organic Chemistry; vol. 71; 18; (2006); p. 7035 - 7044; View in Reaxys


COC(=O)C(C)(C)CC1=CC=CC=C1
2209134 View in Reaxys 2,2-dimethyl-3-phenylpropionic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropanoate;
2,2-dimethyl-3-phenyl-propionic acid methyl ester;
2,2-Dimethyl-3-phenyl-propionsaeure-methylester;
α,α-dimethyl-benzenepropanoic acid, methyl ester;
α,α-dimethyldihydrocinnamic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropionate		 C12H16O2 14248-22-7 192.258 C3H6CO2CH3C7H7 isocyclic
JWHXQYRCZPZNCW-UHFFFAOYSA-N


35 Journal; Morris, David J.; Hayes, Aidan M.; Wills, Martin; Journal of Organic Chemistry; vol. 71; 18; (2006); p. 7035 - 7044; View in Reaxys





76 - 81 1.4
Journal; Owen,J.R.; Saunders,W.H.; Journal of the American Chemical Society; vol. 88; (1966); p. 5809 - 5816; View in Reaxys 1.4945 589 25
Journal; McElvain; Aldridge; Journal of the American Chemical Society; vol. 75; (1953); p. 3987,3990; View in Reaxys





1H 1H CDCl3
399.753
ambient temperature Journal; Giri, Ramesh; Maugel, Nathan; Li, Jiao-Jie; Wang, Dong-Hui; Breazzano, Steven P.; Saunders, Lindsey B.; Yu, Jin-Quan; Journal of the American Chemical Society; vol. 129; 12; (2007); p. 3510 - 3511; View in Reaxys Bands



Journal; Cocker,W.; Grayson,D.H.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1975); p. 1347 - 1352; View in Reaxys


COC(=O)C(C)(C)CC1=CC=CC=C1
2209134 View in Reaxys 2,2-dimethyl-3-phenylpropionic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropanoate;
2,2-dimethyl-3-phenyl-propionic acid methyl ester;
2,2-Dimethyl-3-phenyl-propionsaeure-methylester;
α,α-dimethyl-benzenepropanoic acid, methyl ester;
α,α-dimethyldihydrocinnamic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropionate		 C12H16O2 14248-22-7 192.258 C3H6CO2CH3C7H7 isocyclic
JWHXQYRCZPZNCW-UHFFFAOYSA-N


2i Journal; Kanomata, Nobuhiro; Maruyama, Satoshi; Tomono, Katsuhito; Anada, Shinnosuke; Tetrahedron Letters; vol. 44; 18; (2003); p. 3599 - 3604; View in Reaxys





106 10
Journal; Dewhirst,K.C.; Rust,F.F.; Journal of Organic Chemistry; vol. 28; (1963); p. 798 - 802; View in Reaxys









Spectrum 13C
CDCl3
100.518
ambient temperature Journal; Giri, Ramesh; Maugel, Nathan; Li, Jiao-Jie; Wang, Dong-Hui; Breazzano, Steven P.; Saunders, Lindsey B.; Yu, Jin-Quan; Journal of the American Chemical Society; vol. 129; 12; (2007); p. 3510 - 3511; View in Reaxys








COC(=O)C(C)(C)CC1=CC=CC=C1
2209134 View in Reaxys 2,2-dimethyl-3-phenylpropionic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropanoate;
2,2-dimethyl-3-phenyl-propionic acid methyl ester;
2,2-Dimethyl-3-phenyl-propionsaeure-methylester;
α,α-dimethyl-benzenepropanoic acid, methyl ester;
α,α-dimethyldihydrocinnamic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropionate		 C12H16O2 14248-22-7 192.258 C3H6CO2CH3C7H7 isocyclic
JWHXQYRCZPZNCW-UHFFFAOYSA-N


13 (methyl ester) Journal; Muir, David J.; Stothers, J. B.; Canadian Journal of Chemistry; vol. 71; 8; (1993); p. 1099 - 1105; View in Reaxys





116 - 120 14
Journal; Warrick,P.; Saunders,W.H.; Journal of the American Chemical Society; vol. 84; (1962); p. 4095 - 4100; View in Reaxys









Chemical shifts 13C
CDCl3
100.518
ambient temperature Journal; Giri, Ramesh; Maugel, Nathan; Li, Jiao-Jie; Wang, Dong-Hui; Breazzano, Steven P.; Saunders, Lindsey B.; Yu, Jin-Quan; Journal of the American Chemical Society; vol. 129; 12; (2007); p. 3510 - 3511; View in Reaxys








COC(=O)C(C)(C)CC1=CC=CC=C1
2209134 View in Reaxys 2,2-dimethyl-3-phenylpropionic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropanoate;
2,2-dimethyl-3-phenyl-propionic acid methyl ester;
2,2-Dimethyl-3-phenyl-propionsaeure-methylester;
α,α-dimethyl-benzenepropanoic acid, methyl ester;
α,α-dimethyldihydrocinnamic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropionate		 C12H16O2 14248-22-7 192.258 C3H6CO2CH3C7H7 isocyclic
JWHXQYRCZPZNCW-UHFFFAOYSA-N


4, R1=CO2Me, R4=Ph Journal; Tada, Masaru; Uetake, Tomohiro; Matsumoto, Mitsuhiro; Journal of the Chemical Society, Chemical Communications; 20; (1990); p. 1408 - 1409; View in Reaxys





122 - 124 20
Journal; McElvain; Aldridge; Journal of the American Chemical Society; vol. 75; (1953); p. 3987,3990; View in Reaxys









Spectrum 1H
CDCl3
400.032

Journal; Morris, David J.; Hayes, Aidan M.; Wills, Martin; Journal of Organic Chemistry; vol. 71; 18; (2006); p. 7035 - 7044; View in Reaxys








COC(=O)C(C)(C)CC1=CC=CC=C1
2209134 View in Reaxys 2,2-dimethyl-3-phenylpropionic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropanoate;
2,2-dimethyl-3-phenyl-propionic acid methyl ester;
2,2-Dimethyl-3-phenyl-propionsaeure-methylester;
α,α-dimethyl-benzenepropanoic acid, methyl ester;
α,α-dimethyldihydrocinnamic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropionate		 C12H16O2 14248-22-7 192.258 C3H6CO2CH3C7H7 isocyclic
JWHXQYRCZPZNCW-UHFFFAOYSA-N


1a Journal; Belletire, J. L.; Walley, D. R.; Tetrahedron Letters; vol. 24; 14; (1983); p. 1475 - 1476; View in Reaxys





102 - 103 10
Journal; McElvain; Aldridge; Journal of the American Chemical Society; vol. 75; (1953); p. 3987,3990; View in Reaxys









Chemical shifts 1H
CDCl3
400.032

Journal; Morris, David J.; Hayes, Aidan M.; Wills, Martin; Journal of Organic Chemistry; vol. 71; 18; (2006); p. 7035 - 7044; View in Reaxys








COC(=O)C(C)(C)CC1=CC=CC=C1
2209134 View in Reaxys 2,2-dimethyl-3-phenylpropionic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropanoate;
2,2-dimethyl-3-phenyl-propionic acid methyl ester;
2,2-Dimethyl-3-phenyl-propionsaeure-methylester;
α,α-dimethyl-benzenepropanoic acid, methyl ester;
α,α-dimethyldihydrocinnamic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropionate		 C12H16O2 14248-22-7 192.258 C3H6CO2CH3C7H7 isocyclic
JWHXQYRCZPZNCW-UHFFFAOYSA-N


2b Journal; Ogata et al.; Journal of Organic Chemistry; vol. 44; (1979); p. 856,858; View in Reaxys





121 - 122 23 Fluessigkeit. Journal; Haller; Bauer; Annales de Chimie (Cachan, France); vol. <9> 9; (1918); p. 15; View in Reaxys









Chemical shifts 13C
dimethylsulfoxide-d6
100.6

Journal; Morris, David J.; Hayes, Aidan M.; Wills, Martin; Journal of Organic Chemistry; vol. 71; 18; (2006); p. 7035 - 7044; View in Reaxys








COC(=O)C(C)(C)CC1=CC=CC=C1
2209134 View in Reaxys 2,2-dimethyl-3-phenylpropionic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropanoate;
2,2-dimethyl-3-phenyl-propionic acid methyl ester;
2,2-Dimethyl-3-phenyl-propionsaeure-methylester;
α,α-dimethyl-benzenepropanoic acid, methyl ester;
α,α-dimethyldihydrocinnamic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropionate		 C12H16O2 14248-22-7 192.258 C3H6CO2CH3C7H7 isocyclic
JWHXQYRCZPZNCW-UHFFFAOYSA-N


Beisp.7a Patent; Sandoz AG; CH592598; (1973); DE2449928; Chem.Abstr.; vol. 83; 192925; View in Reaxys



















Chemical shifts 1H
CDCl3



Journal; Arnold, Richard T.; Kulenovic, Srdanka T.; Journal of Organic Chemistry; vol. 45; 5; (1980); p. 891 - 894; View in Reaxys








COC(=O)C(C)(C)CC1=CC=CC=C1
2209134 View in Reaxys 2,2-dimethyl-3-phenylpropionic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropanoate;
2,2-dimethyl-3-phenyl-propionic acid methyl ester;
2,2-Dimethyl-3-phenyl-propionsaeure-methylester;
α,α-dimethyl-benzenepropanoic acid, methyl ester;
α,α-dimethyldihydrocinnamic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropionate		 C12H16O2 14248-22-7 192.258 C3H6CO2CH3C7H7 isocyclic
JWHXQYRCZPZNCW-UHFFFAOYSA-N


1 Journal; Warrick,P.; Saunders,W.H.; Journal of the American Chemical Society; vol. 84; (1962); p. 4095 - 4100; View in Reaxys



















NMR






Journal; Ogata et al.; Journal of Organic Chemistry; vol. 44; (1979); p. 856,858; View in Reaxys








COC(=O)C(C)(C)CC1=CC=CC=C1
2209134 View in Reaxys 2,2-dimethyl-3-phenylpropionic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropanoate;
2,2-dimethyl-3-phenyl-propionic acid methyl ester;
2,2-Dimethyl-3-phenyl-propionsaeure-methylester;
α,α-dimethyl-benzenepropanoic acid, methyl ester;
α,α-dimethyldihydrocinnamic acid methyl ester;
methyl 2,2-dimethyl-3-phenylpropionate		 C12H16O2 14248-22-7 192.258 C3H6CO2CH3C7H7 isocyclic
JWHXQYRCZPZNCW-UHFFFAOYSA-N
























Chemical shifts 1H





Journal; Cocker,W.; Grayson,D.H.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1975); p. 1347 - 1352; View in Reaxys






























































Sheet 2: Query

Query Results Date
1. Query IDE.XRN=2209134 1 substances 2011-06-13 12h:50m:21s (EST)

Sheet 3: Copyright
Copyright © 2011 Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys ® is a trademark owned and protected by Elsevier Properties SA and used under license.

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