-
3
-
-
0033579109
-
-
a) K. Akiba, M. Yamashita, Y. Yamamoto, S. Nagase, J. Am. Chem. Soc. 1999, 121, 10644.
-
(1999)
J. Am. Chem. Soc
, vol.121
, pp. 10644
-
-
Akiba, K.1
Yamashita, M.2
Yamamoto, Y.3
Nagase, S.4
-
4
-
-
16244406816
-
-
b) M. Yamashita, Y. Yamamoto, K. Akiba, D. Hashizume, F. Iwasaki, N. Takagi, S. Nagase, J. Am. Chem. Soc. 2005, 127, 4354.
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 4354
-
-
Yamashita, M.1
Yamamoto, Y.2
Akiba, K.3
Hashizume, D.4
Iwasaki, F.5
Takagi, N.6
Nagase, S.7
-
5
-
-
20244373039
-
-
K. Akiba, Y. Moriyama, M. Mizozoe, H. Inohara, T. Nishii, Y. Yamamoto, M. Minoura, D. Hashizume, F. Iwasaki, N. Takagi, K. Ishimura, S. Nagase, J. Am. Chem. Soc. 2005, 127, 5893.
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 5893
-
-
Akiba, K.1
Moriyama, Y.2
Mizozoe, M.3
Inohara, H.4
Nishii, T.5
Yamamoto, Y.6
Minoura, M.7
Hashizume, D.8
Iwasaki, F.9
Takagi, N.10
Ishimura, K.11
Nagase, S.12
-
6
-
-
0004204702
-
-
3rd ed, Oxford University Press
-
J. Emsley, The Elements, 3rd ed., Oxford University Press, 1998.
-
(1998)
The Elements
-
-
Emsley, J.1
-
10
-
-
0041529923
-
-
M. Yamashita, Y. Mita, Y. Yamamoto, K. Akiba, Chem. - Eur. J. 2003, 9, 3655.
-
(2003)
Chem. - Eur. J
, vol.9
, pp. 3655
-
-
Yamashita, M.1
Mita, Y.2
Yamamoto, Y.3
Akiba, K.4
-
11
-
-
29844447332
-
-
T. Yamaguchi, Y. Yamamoto, Y. Fujiwara, Y. Tanimoto, Org. Lett. 2005, 7, 2739.
-
(2005)
Org. Lett
, vol.7
, pp. 2739
-
-
Yamaguchi, T.1
Yamamoto, Y.2
Fujiwara, Y.3
Tanimoto, Y.4
-
12
-
-
38149113318
-
-
When 1 equiv. of the oxidant was used, the reaction afforded the mixture of 6 and 7, which did not show the ESR signals. The results indicate this reaction proceeds by two-electron oxidation.
-
When 1 equiv. of the oxidant was used, the reaction afforded the mixture of 6 and 7, which did not show the ESR signals. The results indicate this reaction proceeds by two-electron oxidation.
-
-
-
-
13
-
-
38149080318
-
-
3J = 8 Hz).
-
3J = 8 Hz).
-
-
-
-
14
-
-
38149115144
-
-
Data for 4: Mp 198-199°C. 1HNMR (400 MHz, CDCl 3) δ 2.08 (s, 6H, 6.41 (d, 1H, 3J, 9Hz, 6.55 (d, 1H, 3J, 7 Hz, 6.71 (d, 1H, 3J, 8 Hz, 6.91 (d, 1H, 3J, 8 Hz, 7.20 (dd, 1H, 3J, 9Hz, 3J, 7 Hz, 7.51 (t, 1H, 3J, 8 Hz, 13CNMR (100MHz, CDCl3) δ 21.7 (CH3, 99.5 (C, 106.2 (CH, 110.5 (CH, 114.4 (CH, 120.1 (C, 120.5 (C, 124.4 (CH, 135.9 (C, 137.5 (CH, 137.6 (CH, 138.3 (C, 164.7 (C, 168.7 (C, 183.0 (C, UV-vis (CH2Cl2) λmax (log ε, 272 (4.22, 337 (4.14, 448 (3.88, 615 3.71
-
max (log ε): 272 (4.22), 337 (4.14), 448 (3.88), 615 (3.71).
-
-
-
-
15
-
-
38149076968
-
-
Crystal data for 4: C16H12O2S, fw 268.32, orthorhombic, Pbca (No. 61, a, 12.1950(3, b, 13.6590(4, c, 15.0020(3) Å, V, 2498.91(11) Å3, Z, 8, Dcalcd, 1.426 g/cm3, R, 0.0586 (I > 2σ(I, Rw, 0.1861 (all data, GOF =1.185 for 2972 reflections and 200 parameters. The data were collected at 173 K using a Mac Science DIP 2030 imaging plate equipped with graphite-monochromated Mo Kα radiation (λ, 0.71073Å, In the X-ray structure of 4, O1, O2, and C14 are disordered and the proportion of the major structure is 81, The structure of the remaining 19% is similar to the major one (01′-C14′, 2.96(3) Å, O2̊-C14′, 1.48(3) Å, CCDC-663067
-
w = 0.1861 (all data), GOF =1.185 for 2972 reflections and 200 parameters. The data were collected at 173 K using a Mac Science DIP 2030 imaging plate equipped with graphite-monochromated Mo Kα radiation (λ = 0.71073Å). In the X-ray structure of 4, O1, O2, and C14 are disordered and the proportion of the major structure is 81%. The structure of the remaining 19% is similar to the major one (01′-C14′ = 2.96(3) Å, O2̊-C14′ = 1.48(3) Å) (CCDC-663067).
-
-
-
-
16
-
-
38149090022
-
-
The structure was optimized by the density functional theory (DFT) at the B3PW91/6-31G(d) level14 using the Gaussian 98 program, out at the same level
-
15The AIM analysis was carried out at the same level.
-
15The AIM analysis was carried
-
-
-
20
-
-
38149050341
-
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, R. E. Stratmann, Jr, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniel, S. K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian 98, revision A.5; Gaussian, Inc, Pittsburgh, PA, 1998
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, R. E. Stratmann, Jr., J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniel, S. K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian 98, revision A.5; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
-
-
|