[RU-((R)-BINAP)-(MECN)-(OC(H)(CO2CH3))-(C(CH3)(2)(CO2CH3))]-(BF4);MINOR-ISOMER
Compound with spectra: 2 NMR
![[RU-((R)-BINAP)-(MECN)-(OC(H)(CO2CH3))-(C(CH3)(2)(CO2CH3))]-(BF4);MINOR-ISOMER](/api/compound/7y7wifFHm6n.png?ph=true&h=300&w=458 "[RU-((R)-BINAP)-(MECN)-(OC(H)(CO2CH3))-(C(CH3)(2)(CO2CH3))]-(BF4);MINOR-ISOMER")
| SpectraBase Compound ID | 7y7wifFHm6n |
|---|---|
| InChI | InChI=1S/C44H32P2.C8H13O5.C2H3N.BF4.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-8(2,7(11)13-4)5(9)6(10)12-3;1-2-3;2-1(3,4)5;/h1-32H;5H,1-4H3;1H3;;/q;-1;;-1;/p+2/t;5-;;;/m.1.../s1 |
| InChIKey | HOUFTIAOXCNSPX-QWDPUZEJSA-P |
| Mol Weight | 1042.8 g/mol |
| Molecular Formula | C54H50BF4NO5P2Ru |
| Exact Mass | 1043.223681 g/mol |
| Parent InChIKey | WNLVQFHLCJRIAY-UTYJZAQGSA-P |
| Enantiomer InChIKey | HOUFTIAOXCNSPX-HSQVSSIKSA-P |
| Racemate InChIKey | HOUFTIAOXCNSPX-UHFFFAOYSA-P |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE-D6 |
{(4a,5,6,7,7a-.eta.)-4-(2",2"-Dimethyl-1",3"-dioxolan-4"-yl)-3a,5,8,8a-tetrahydro-2,2-dimethyl-4H-indeno[5,6-d]-1,3-dioxol-5-yl}-{(4',5',6',7',7a'-.eta.)-5'-(chloromercurio)-4'-(2"',2"'-dimethyl-1'",3'"-dioxolan-4"'-yl}-3a',5',8',8a'-tetrahydro-2',2'-dimethyl-4H-indeno5,6-d]-1',3'-dioxol-5'-yl}- iron (II)
Dispiro[piperidine-4,2'-[7,14,24,31]tetraoxapentacyclo[30.2.2.23,6.215,18.220,23]dotetraconta[3,5,15,17,20,22,32,34,35,37,39,41]dodecaen e-19',4''-piperidine], 1,1''-diacetyl-5',33'-dibromo-16',22',36',37',40',41'-hexamethyl-
(2S,5S,7R,9S,10S,12R,13Z,15R)-15-Acetoxy-2-[(2R,5R,6S)-5-ethyl-6-hydroxy-6-methyltetrahydropyran-2-yl]-9-[(R)-1-ethyl-2-oxobutyl]-2,10,12-trimethyl-1,6,8-trioxodispiro[4.1.5.3]pentadec-13-ene
Chromium, [.mu.-[[2,6-bis(trifluoromethyl)phenyl]diphosphenyl-P1:P1]]pentacarbonyl[dicarbonyl[(1,2,3,4,5-.eta.)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]iron]-, stereoisomer
(1S,3aR,4S,7R,7aS,1'R,2'R,5'R)-Methyl 1-hydroxymethyl-1-[2'-(1"-methoxymethoxymethylvinyl)-5'-methylcyclopentylmethyl]-3-isopropyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoinden-2-carboxylate
Methyl 2.beta.-(2'-(m-isopropyl-phenyl)ethyl)-1.beta.,3.alpha.-dimethyl-cyclohexanecarboxylate (so name and structure in Anderson & Botto) but MS (intense fragement at m/z = 187) and RT suggest 2.alpha.-epimer instead, with Reg. No. 19556-80-0? a methyl seco-dehydro-abietate
13',16':18',21'-dietheno-1,1''-diethyl-3',14',20',31'-tetramethyldispiro[piperidine-4,17'-[5,12,22,29]tetraoxa[37,40,41]triazatetracyclo[31.13.1.0.(4,45).0(30,35)]heptatetraconta-1',3',13',15',18',20',30',34',35',45'-decaene-47',4''-piperidine]-38',42'-dione
2-Propenoic acid, 3-phenyl-, 1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-3a,6b-dihydroxy-1,1,5,7-tetramethyl-4-oxo-2a-[[(1-oxo-3-phenyl-2-propenyl)oxy]methyl]-8aH-cyclopropa[5',6']benz[1',2':7,8]az uleno[5,6-b]oxirene-8,8a-diyl ester, [1aR-(1a.alpha.,1b.beta.,1c.beta.,2a.beta.,3a.beta.,6a.alpha.,6b.alpha.,7.alpha.,8.beta.,8a.alpha.)]-
6H-Benzo[4,5]cyclodec[1,2-b]oxireno[c]furan-1(13aH)-one, 5,7,10,12-tetrakis(acetyloxy)-2a,5,7,7a,10,11,11a,12-octahydro-11-hydroxy-4,7a,11,13a-tetramethyl-, (2aR*,3Z,5S*,7R*,7aR*,8Z,10S*,11R*,11aR*,12R*,12aS*,13aS*)-
(2S,5S*,7S*,9S,1-S,12R,13Z,15R)-2-[(2R,5R,6S)-5-Benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-9-[(R)-1-ethyl-2-oxobutyl]-15-(4-methoxybenzyloxy)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.3.5]pentadec-13-ene
| Title | Journal or Book | Year |
|---|---|---|
| The First Complete Identification of a Diastereomeric Catalyst−Substrate (Alkoxide) Species in an Enantioselective Ketone Hydrogenation. Mechanistic Investigations | Journal of the American Chemical Society | 2002 |