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[RU-((R)-BINAP)-(MECN)-(OC(H)(CO(2)C(CH3)(3)))-(C(CH3)(2)(CO2C(CH3)(3)))]-(BF4)

Compound with spectra: 2 NMR

[RU-((R)-BINAP)-(MECN)-(OC(H)(CO(2)C(CH3)(3)))-(C(CH3)(2)(CO2C(CH3)(3)))]-(BF4)
SpectraBase Compound ID 81QCYkaQCDI
InChI InChI=1S/C44H32P2.C14H25O5.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;1-12(2,3)18-10(16)9(15)14(7,8)11(17)19-13(4,5)6;1-2-3;2-1(3,4)5;/h1-32H;9H,1-8H3;1H3;;/q;-1;;-1;/p+2/t;9-;;;/m.0.../s1
InChIKey RSTXLVBBRSZIGN-WUAHWFRISA-P
Mol Weight 1127.0 g/mol
Molecular Formula C60H62BF4NO5P2Ru
Exact Mass 1127.317581 g/mol
Parent InChIKey IHZZOPVAOZOYIZ-QKWFRNNBSA-P
Enantiomer InChIKey RSTXLVBBRSZIGN-UIDYZHEXSA-P
Racemate InChIKey RSTXLVBBRSZIGN-UHFFFAOYSA-P

View Spectrum of [RU-((R)-BINAP)-(MECN)-(OC(H)(CO(2)C(CH3)(3)))-(C(CH3)(2)(CO2C(CH3)(3)))]-(BF4)

31P NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent THF-D8

View Spectrum of [RU-((R)-BINAP)-(MECN)-(OC(H)(CO(2)C(CH3)(3)))-(C(CH3)(2)(CO2C(CH3)(3)))]-(BF4)

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent THF-D8
Diethyl [ 1R-( 1.alpha.,4a.beta.,5.beta.,.8a.alpha.)]-1,2,3,4,4a,5,8,8a-octahydro-1,4a-dimethyl-5-1-( 4'-methyl-3'-oxopentyl)-naphthalene-1,6-dicarboxylate
Acetic-D3 acid, 2-[10,14-diacetyl-5-[3-(benzoylamino)propyl]-3,3a,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-3-(4-methoxyphenyl)-4-oxo-1,16-ethenofuro[3,4-l][1,5,10]triazacyclohexadecin-15-yl]ester
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
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.)]-
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
1-{1-((1-methylethenyl)carbonyloxy)-1-(aminocarbonyl)methyl}-3,4-(dimethylmethylenedioxo)-3-benzyloxy-1-oxacyclopentane
Ethyl 5-(N-phenylcarboxamido)-1,4-dihydro-2,6-dimethyl-4-(2'-phenyl-4H-1]benzopyran-4'-oxo-6'-yl)-3-pyridinecarboxylate
IRON, [.MU.3-[2,6-BIS(1-METHYLETHYL)PHENYL PHOSPHINITO(2-)-P:P:P]]NONACARBONYL[.MU.3-[N,N-DIETHYL-P-METHYLPHOSPHINOUS AMIDATO(2-)]]T
Nickel, [methyl 17-methyl-2,7,12-triphenyl-22,23,24,25-tetraazapentacyclo[17.2.1.1(3,6).1(8,11).1(13,16)]pentacosa-1(22),2,4,6,8(24),9,11,13,15,18-decaene-17-ca rboxylato(2-)-N22,N23,N24,N25]-, [SP-4-2-(S)]-
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
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