-
2
-
-
2742549587
-
-
Synthesis and reactions of 4,6-diphenyl-3-methylfuro[3,4-d]isoxazole: L. Aßmann, L. Palm, M. Zander, and W. Friedrichsen, Chem. Ber.,1991, 124, 2481.
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Aßmann, L.1
Palm, L.2
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4
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0026016498
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L. Aßmann, T. Debaerdemaeker, and W. Friedrichsen, Tetrahedron Lett., 1991, 32, 1161
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Aßmann, L.1
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5
-
-
0000873581
-
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5a. B. Neises and W. Steglich, Angew. Chem., 1978, 90, 556; Angew. Chem., Int. Ed. Engl., 1978, 17, 552.
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Neises, B.1
Steglich, W.2
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6
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0001404901
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5a. B. Neises and W. Steglich, Angew. Chem., 1978, 90, 556; Angew. Chem., Int. Ed. Engl., 1978, 17, 552.
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Angew. Chem., Int. Ed. Engl.
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-
-
-
8
-
-
85086526288
-
-
note
-
13C nmr and high resolution mass spectroscopy (either El and/or CI mode).
-
-
-
-
11
-
-
2742587904
-
-
note
-
AM1 and PM3 calculations 10a-11 indicate that the phenyl group of 3j may exert an anisotropic influence on the Me group.
-
-
-
-
12
-
-
0003981415
-
-
K. B Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York
-
10a. J. J. P. Stewart in Rewiews in Computational Chemistry (K. B Lipkowitz and D. B. Boyd, Eds.), VCH Publishers, New York 1990
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Rewiews in Computational Chemistry
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-
Stewart, J.J.P.1
-
13
-
-
84873055189
-
-
Wiley, New York
-
- 10b. W. J. Hehre, L. Radom, P. v. R. Schleyer, and J. A. Pople, Ab initio Molecular Orbital Theory, Wiley, New York 1986.
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(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
-
14
-
-
85086527375
-
-
note
-
o values).
-
-
-
-
15
-
-
85086528045
-
-
note
-
-1, 1725, 1714.
-
-
-
-
16
-
-
2742595663
-
-
note
-
5: 263.0793, found 263.0792.
-
-
-
-
17
-
-
2742516567
-
-
note
-
Space group P1 ̄. Cell dimensions. a= 10.1710 (13) Å, b = 10.729 (3) Å, c = 13.429 (2) Å, α = 69.070° (14), β= 86.220° (11), γ= 66.270° (13). CSD number 15: 404654.
-
-
-
-
18
-
-
2742525398
-
-
note
-
Details can be obtained by referring to this number from Fachinformationszentrum Karlsruhe, D-76344 Eggenstein-Leopoldshafen.
-
-
-
-
19
-
-
33744875271
-
-
MOPAC, Version 6.0 and Version 6.12 were used: QCMP 113
-
MOPAC, Version 6.0 and Version 6.12 were used: QCMP 113, QCPE Bulletin, 1992, 12, 72.
-
(1992)
QCPE Bulletin
, vol.12
, pp. 72
-
-
-
20
-
-
0004133516
-
-
Gaussian, Inc., Pittsburg PA
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Gaussian 92, Revision E.2, M. J Frisch, G. W. Trucks, M. Head-Gorden, P. M. W. Gill, M. W. Wong, J B. Foresman, B. G. Johnson, H. B. Schlegel, M. A. Robb, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart, and J. A. Pople, Gaussian, Inc., Pittsburg PA, 1992.
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Gaussian 92, Revision E.2
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Frisch, M.J.1
Trucks, G.W.2
Head-Gorden, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Johnson, B.G.7
Schlegel, H.B.8
Robb, M.A.9
Replogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
Defrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
-
21
-
-
0004133516
-
-
Gaussiaa, Inc., Pittsburg PA
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Gaussian 92/DFT, Revision G 3, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. W. Wong, J. B. Foresman, M. A. Robb, M. Head-Gorden, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart, and J. A. Pople, Gaussiaa, Inc., Pittsburg PA, 1993.
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(1993)
Gaussian 92/DFT, Revision g 3
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Wong, M.W.6
Foresman, J.B.7
Robb, M.A.8
Head-Gorden, M.9
Replogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
Defrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
-
25
-
-
36449005292
-
-
20a. J. Baker, M. Muir, and J. W. Andzelm, J. Chem. Phys., 1995, 102, 2063.
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Baker, J.1
Muir, M.2
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26
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-
0040833186
-
-
- 20b. F. M. Bickelhaupt, M. Sola, and P. v. R. Schleyer, J. Comput. Chem., 1995, 16, 445.
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J. Comput. Chem.
, vol.16
, pp. 445
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-
Bickelhaupt, F.M.1
Sola, M.2
Schleyer, P.V.R.3
-
29
-
-
2742514331
-
-
note
-
Details of comparison between HF, post HF, and DFT methods are available. 19, 20
-
-
-
-
31
-
-
0345491105
-
-
C Lee, W. Yang, and G. Parr, Phys Rev. B, 1988, 41, 785
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(1988)
Phys Rev. B
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, pp. 785
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-
Lee, C.1
Yang, W.2
Parr, G.3
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32
-
-
0000783814
-
-
Y. Kita, R. Okunaga, T. Honda, M. Shindo, M. Taniguchi, M. Kendo, and M. Sasho, J. Org. Chem., 1991, 56, 119.
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J. Org. Chem.
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-
Kita, Y.1
Okunaga, R.2
Honda, T.3
Shindo, M.4
Taniguchi, M.5
Kendo, M.6
Sasho, M.7
-
33
-
-
85086526019
-
-
note
-
2).
-
-
-
-
34
-
-
85086525858
-
-
note
-
2).
-
-
-
-
35
-
-
2742535314
-
-
note
-
3), 177.87 (s, C-9).
-
-
-
-
36
-
-
2742594535
-
-
Reactions of this type are well known: 28a. K. Hildebrandt, Dissertation, University of Kiel 1987
-
Reactions of this type are well known: 28a. K. Hildebrandt, Dissertation, University of Kiel 1987.
-
-
-
-
37
-
-
84944506332
-
-
- 28b. J. Nagel, W. Friedrichsen, and T. Debaerdemaeker, Z. Naturforsch., 1993, 48b, 213.
-
(1993)
Z. Naturforsch.
, vol.48 B
, pp. 213
-
-
Nagel, J.1
Friedrichsen, W.2
Debaerdemaeker, T.3
-
39
-
-
85086526941
-
-
note
-
1/a. Cell dimensions: a = 8.458 (2) Å, b = 17.842 (6) Å, c= 10.518 (2) Å, α = 90°, β= 110.11° (2), γ = 90°. CSD number 15: 404649.
-
-
-
-
40
-
-
85086526634
-
-
note
-
2).
-
-
-
-
41
-
-
85086526161
-
-
note
-
2).
-
-
-
-
42
-
-
2742613418
-
-
note
-
3). - X-ray data: Space group P1. Cell dimensions: a = 7.873 (2) Å, b = 13.382 (4) Å, c= 16.028 (2) Å, α = 108.34° (2), β= 90.42° (2), γ = 97.92° (2). CSD number 15: 404749.
-
-
-
-
43
-
-
85086526269
-
-
note
-
2H).
-
-
-
-
44
-
-
85086526909
-
-
note
-
2)
-
-
-
-
45
-
-
85086528307
-
-
note
-
2).
-
-
-
-
46
-
-
2742533079
-
-
note
-
2), 163.27 (s, C-6a).
-
-
-
-
47
-
-
0001361116
-
-
R. Kreher, Ed., Georg Thieme Verlag, Stuttgart
-
37a. W. Friedrichsen in Hauben-Weyl, Methoden der Organischen Chemie (R. Kreher, Ed.), Vol. E6b1, Georg Thieme Verlag, Stuttgart 1994, p. 163.
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(1994)
Hauben-Weyl, Methoden der Organischen Chemie
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, pp. 163
-
-
Friedrichsen, W.1
-
49
-
-
33751386319
-
-
D. Tobia, R. Harrison, B. Phillips, T. L. White, M. Dittare, and B. Rickborn, J. Org. Chem., 1993, 58, 6701.
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(1993)
J. Org. Chem.
, vol.58
, pp. 6701
-
-
Tobia, D.1
Harrison, R.2
Phillips, B.3
White, T.L.4
Dittare, M.5
Rickborn, B.6
|