(+/-)-TRICARBONYL-[(1,2,3,4-ETA)-5-ALPHA-[2'-(1'',3''-DIOXOLAN-2''-YL)-4',5'-DIMETHOXYPHENYL]-2,5-BETA-DIMETHOXY-1,3-CYCLOHEXADIENE]-IRON-(0)
Compound with spectra: 1 NMR
![(+/-)-TRICARBONYL-[(1,2,3,4-ETA)-5-ALPHA-[2'-(1'',3''-DIOXOLAN-2''-YL)-4',5'-DIMETHOXYPHENYL]-2,5-BETA-DIMETHOXY-1,3-CYCLOHEXADIENE]-IRON-(0)](/api/compound/Jk3m2RsfmJI.png?ph=true&h=300&w=458 "(+/-)-TRICARBONYL-[(1,2,3,4-ETA)-5-ALPHA-[2'-(1'',3''-DIOXOLAN-2''-YL)-4',5'-DIMETHOXYPHENYL]-2,5-BETA-DIMETHOXY-1,3-CYCLOHEXADIENE]-IRON-(0)")
| SpectraBase Compound ID | Jk3m2RsfmJI |
|---|---|
| InChI | InChI=1S/C19H21O6.3CO.Fe/c1-20-13-5-7-19(23-4,8-6-13)15-12-17(22-3)16(21-2)11-14(15)18-24-9-10-25-18;3*1-2;/h11-12,18H,7,9-10H2,1-4H3;;;;/t19-;;;;/m0..../s1 |
| InChIKey | SDIKEEZRTGVHAA-QMKYUQMLSA-N |
| Mol Weight | 485.25 g/mol |
| Molecular Formula | C22H21FeO9 |
| Exact Mass | 485.053493 g/mol |
| Enantiomer InChIKey | SDIKEEZRTGVHAA-MXFMKSRJSA-N |
| Racemate InChIKey | SDIKEEZRTGVHAA-UHFFFAOYSA-N |
| 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)
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
N-[4-((2-chloro-4-sulfophenyl){3-methyl-4-[(3-sulfobenzyl)amino]phenyl}methylene)-2-methyl-2,5-cyclohexadien-1-ylidene](3-sulfophenyl)methanaminium trihydrogen [(trioxotungstato)(trioxomolybdato)phosphate]
6H,13H-5,13:6,12-Dietheno-5a,12a-(methaniminomethano)-1H,5H,8H,12H-[1,2,4]triazolo[1,2-a][1,2,4]triazolo[1',2':1,2]pyridazino[4,5-d]pyridazine-18-acetic acid, 2,3,9,10-tetrahydro-.alpha.-(2-methylpropyl)-1,3,8,10,17,19-hexaoxo-2,9-diphenyl-, hexyl ester, stereoisomer
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
(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
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[(2.alpha.,5.beta.,6.alpha.,7.beta.,18 .beta.)-3,4-didehydro-18-(methoxycarbonyl)-C-noribogamin-7-yl]-3-hydr oxy-16-methoxy-1-methyl-, methyl ester, (2.beta.,3.beta.,4.beta.,5.alpha.,12.beta.,19.alpha.)-
(1a.alpha.,3a.alpha.,4.beta.,5a.alpha.6.alpha.,8.beta.,8a.alpha.,8b.beta.,10.alpha.,10a.beta.,10b.beta.,10c.alpha.)-4-[(1,1-Dimethylethyl)dimethylsiloxy]tetradecahydro-10-[(2-methoxyethoxy)methoxy]-8-(methoxymethoxy)-6,8b-dimethyl-1H-naphth[2',1',8':3,4,5]azuleno[1.8-bc]furan-3(1aH)-one
Cobalt, bis(cyano-C)(8,11-diethyl-2,3,3a,7,8,9,10,11,12,16,17,20a-dodecahydro-3a,5,8,9,12,14,17,17-octamethyl-7,12,16,20a-tetrapropyl-10,13-imino-4,20:9,16:18,15-trinitrilo-6H-cyclononadeca[b]furanato-N21,N22,N23,N24)-, stereoisomer
N-[4-[(2-chlorophenyl)[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohadien-1-ylidene]-N-ethyl-3-sulfobenzenemethanaminium trihydrogen {(trioxotungstato)(trioxomolybdato)phosphate]
| Title | Journal or Book | Year |
|---|---|---|
| Influencing the Balance between ipso and ω Nucleophile Addition to (1-Arylcyclohexadienyl)iron Intermediates in Alkaloid Synthesis | European Journal of Organic Chemistry | 2012 |