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-
28
-
-
69449104269
-
-
Since 2 equiv. of a base is required for the formation of 4e on the basis of the reaction mechanism shown in Scheme 1, 60% is the theoretical yield
-
Since 2 equiv. of a base is required for the formation of 4e on the basis of the reaction mechanism shown in Scheme 1, 60% is the theoretical yield.
-
-
-
-
29
-
-
69449090341
-
-
Each point was obtained by performing the experiments 2-3 times. MeLi was titrated by a literature method See: (Ed.: M. Schlosser), John Wiley & Sons, New York, ch. 4
-
Each point was obtained by performing the experiments 2-3 times. MeLi was titrated by a literature methodSee: B. H Lipshutz in Organometallics in Synthesis A Manual (Ed.: M. Schlosser), John Wiley & Sons, New York, 1994, ch. 4, pp. 283382.
-
(1994)
Organometallics in Synthesis A Manual
, pp. 283382
-
-
Lipshutz, B.H.1
-
30
-
-
69449094076
-
-
Judging from Table 1, because LDA behaved basically in a similar manner to MeLi at least in THF and spontaneous reaction was readily expected by mixing MeLi and PhCHO, we selected the former base here
-
Judging from Table 1, because LDA behaved basically in a similar manner to MeLi at least in THF and spontaneous reaction was readily expected by mixing MeLi and PhCHO, we selected the former base here.
-
-
-
-
31
-
-
69449097894
-
-
Computation was carried out by Gaussian 03W using the B3LYP/6-3U++G level of theory and the solvent effect (SCIPCM) was estimated by single-point calculation. Revision B.03, Gaussian, Inc., Wallingford, CT
-
Computation was carried out by Gaussian 03W using the B3LYP/6-3U++G level of theory and the solvent effect (SCIPCM) was estimated by single-point calculation. M. J. Frisch, G. W Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery Jr, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Parkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill B. Johnson, W Chen, M. W Wong, C. Gonzalez, J. A. Pople, Gaussian 03, Revision B.03, Gaussian, Inc., Wallingford, CT, 2004.
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J. A. Pople, Gaussian
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr, J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Parkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, S.62
Clifford, A.G.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, B.77
Johnson, P.M.W.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
more..
-
32
-
-
69449108114
-
-
This is the species actually obtained by DFT optimization
-
This is the species actually obtained by DFT optimization.
-
-
-
-
33
-
-
69449088547
-
-
Clear pictures of their structures have not been obtained yet
-
Clear pictures of their structures have not been obtained yet.
-
-
-
-
36
-
-
0033065283
-
-
(R = Ph)
-
b) H. Uno, N. Nibu, N. Misobe, Bull. Chem. Soc Jpn. 1999, 72, 1365-1375 (R = Ph).
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(1999)
Bull. Chem. Soc Jpn.
, vol.72
, pp. 1365-1375
-
-
Uno, H.1
Nibu, N.2
Misobe, N.3
-
37
-
-
45949126715
-
-
For the similar species with zinc instead of Li, see, S. W Hansen, T. D. Spawn, D. J. Burton, J. Fluorine Chem. 1987, 35, 415-420.
-
J. Fluorine Chem.
, vol.1987
, Issue.35
, pp. 415-420
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39
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4644275985
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b) R. Knorr, Chem. Rev. 2004,104, 3795-3849.
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(2004)
Chem. Rev.
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, pp. 3795-3849
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Knorr, R.1
-
40
-
-
69449100693
-
-
One of the referees pointed out the possible equilibration between Int-1 and Int-2 in the presence of (E)-1, whereas our experiment proved that this was not the case: To a solution of (E)-1 was added MeLi (1.2 equiv.) at -80 °C and after 0.5 h, another 0.8 equiv. of MeLi was added. When 2 equiv. of MeLi was added all at once, (E)-2e was afforded in excellent selectivity by the addition of PhCHO (see Entry 15 in Table land Figure 1), whereas what was actually obtained was 4e only in 68 % yield
-
One of the referees pointed out the possible equilibration between Int-1 and Int-2 in the presence of (E)-1, whereas our experiment proved that this was not the case: To a solution of (E)-1 was added MeLi (1.2 equiv.) at -80 °C and after 0.5 h, another 0.8 equiv. of MeLi was added. When 2 equiv. of MeLi was added all at once, (E)-2e was afforded in excellent selectivity by the addition of PhCHO (see Entry 15 in Table land Figure 1), whereas what was actually obtained was 4e only in 68 % yield.
-
-
-
-
41
-
-
0000517236
-
C=C was reported to rearrange into acetylene within a period of picoseconds
-
2
-
2C=C was reported to rearrange into acetylene within a period of picoseconds. G. A. Petersson, T. G. Tensfeldt, J. A. Montgomery Jr, J. Am. Chem. Soc. 1992, 114, 6133-6138.
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Petersson, G.A.1
Tensfeldt, T.G.2
Montgomery Jr, J.A.3
-
42
-
-
69449087194
-
-
WO 2006/046417 Al
-
T. Komata, M. Fujiwara, S. Akiba, K. Hosoi, S. Narizuka, WO 2006/046417 Al.
-
-
-
Komata, T.1
Fujiwara, M.2
Akiba, S.3
Hosoi, K.4
Narizuka, S.5
-
43
-
-
0009207070
-
-
1,2-Addition of amines to 3,3,3-triñuoropropyne was also reported.
-
1,2-Addition of amines to 3,3,3-triñuoropropyne was also reported. N. P. Stepanova, V. B. Lebedev, N. A. Orlova, E. S. Turbanova, A. A. Petrov, Russ. J. Org Chem. 1988, 24, 692-699.
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Stepanova, N.P.1
Lebedev, V.B.2
Orlova, N.A.3
Turbanova, E.S.4
Petrov, A.A.5
-
44
-
-
69449100821
-
-
The original procedure, mixing 4 equiv. of piperidine with (E)1 at 0 °C for 3 h, allowed the isolation of (E)-6a in 73% yield.
-
The original procedure, mixing 4 equiv. of piperidine with (E)1 at 0 °C for 3 h, allowed the isolation of (E)-6a in 73% yield.
-
-
-
-
45
-
-
2742613931
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|