Rhodium(1+), bis[(1,2,5,6-η)-1,5-cyclooctadiene]-, tetrafluoroborate(1-) (1:1)
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![Rhodium(1+), bis[(1,2,5,6-η)-1,5-cyclooctadiene]-, tetrafluoroborate(1-) (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1f0eeacc87e34823b45e051a62c117d7.png "Rhodium(1+), bis[(1,2,5,6-η)-1,5-cyclooctadiene]-, tetrafluoroborate(1-) (1:1)")
Rhodium(1+), bis[(1,2,5,6-η)-1,5-cyclooctadiene]-, tetrafluoroborate(1-) (1:1)
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CAS No:
35138-22-8
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Formula:
C16H24Rh.BF4
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Chemical Name:
Rhodium(1+), bis[(1,2,5,6-η)-1,5-cyclooctadiene]-, tetrafluoroborate(1-) (1:1)
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Synonyms:
Rhodium(1+),bis[(1,2,5,6-η)-1,5-cyclooctadiene]-,tetrafluoroborate(1-) (1:1);Rhodium(1+),bis[(1,2,5,6-η)-1,5-cyclooctadiene]-,tetrafluoroborate(1-);Rhodium(1+),bis(1,5-cyclooctadiene)-,tetrafluoroborate(1-);Borate(1-),tetrafluoro-,bis[(1,2,5,6-η)-1,5-cyclooctadiene]rhodium(1+);1,5-Cyclooctadiene,rhodium complex;Bis(1,5-cyclooctadienyl)rhodium tetrafluoroborate;Bis(cyclooctadiene)rhodium tetrafluoroborate;Bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate;Bis(1,5-cyclooctadiene)rhodium(1+) tetrafluoroborate;Bis(1,5-cyclooctadiene)rhodium tetrafluoroborate;Bis(cis,cis-1,5-cyclooctadiene)rhodium tetrafluoroborate;Bis(cyclooctadiene)rhodium(1+) tetrafluoroborate(1-);Bis[(1,2,5,6-η)-1,5-cyclooctadiene]rhodium tetrafluoroborate(1-)-;Bis[(1,2,5,6-η)-1,5-cyclooctadiene]rhodium(1+) tetrafluoroborate(1-);Bis(1,5-cyclooctadiene)rhodium(1+) tetrafluoroborate(1-);Bis(cyclooctadiene)rhodium(1+) tetrafluoroborate;Rh(COD)2BF4;Dicyclooctadienerhodium tetrafluoroborate;Bis(1,5-cyclooctadiene)(tetrafluoroborato)rhodium;11067-08-6;36620-12-9
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CAS No:
Rhodium(1+), bis[(1,2,5,6-η)-1,5-cyclooctadiene]-, tetrafluoroborate(1-) (1:1) Basic Attributes
406.07
406.096222
460-220-1
DTXSID20420660
28439000
Safety Information
Ⅱ
8
UN 2921
2
11-34
16-45-36/37/39-26
F,Xi
Irritant
P210, P240, P241, P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P370+P378, P403+P233, P405, P501
H228
|Danger|H302 (94.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 36 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H228 (75%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Rhodium(1+), bis[(1,2,5,6-η)-1,5-cyclooctadiene]-, tetrafluoroborate(1-) (1:1) Use and Manufacturing
N.100 g of rhodium trichloride trihydrate were dissolved in 1000 ml of absolute ethanol and 200 ml of water, and 370 ml of 1, 5-cyclooctadiene was weighed in a constant pressure funnel under nitrogen purge to initiate the dropwise addition of 1, 5-cyclo Octadiene. After the dropping was completed, the temperature was raised to 82 ° C and the mixture was kept stirred for 24 hours, concentrated by rotary evaporation, and cooled to obtain 1, 5-cyclooctadiene rhodium chloride dimer.Then, the whole was dissolved in 2400 ml of methylene chloride and 160 ml of 1, 5-cyclooctadiene, and 600 ml of acetone solution containing 75 g of silver tetrafluoroborate was gradually added dropwise at 20 ° C under a nitrogen atmosphere. The mixture was refluxed at 45 ° C for 36 hours, filtered, concentrated by rotary evaporation, filtered, rinsed with methyl t-butyl ether and dried in vacuo at room temperature to obtain 141.05 g of rhodium 1, 5-cyclooctadiene tetrafluoroborate.The measured Rh content of 24.95percent, the theoretical Rh content of 25.30percent.Rh(l-Cl)(cod)]2 (0.5 g, 1.0 mmol) and 1, 5-cyclooctadiene (0.5 mL, excess) were dissolvedin CH2Cl2 (20 mL) and silver tetrafluoroborate (0.197 g, 1.0 mmol) in CH2Cl2 (40 mL), was added dropwise to the stirred (25 C) yellow solution. After the addition wascompleted the deep red solution was stirred for 5 min and then added to diethyl ether(400 mL) to give orange-red crystal of [Rh(cod)2]BF4 (391 mg; 95.0percent) m.p. 206–208.1H NMR (d in ppm rel. to TMS, J Hz, in CDCl3):6.08 (s, 2H, CH of cod), 5.37 (s, 6H, CH ofcod), 2.65 (br, 6H, CH2 of cod), 2.49 (br, 10H, CH2 of cod); 13C NMR (d in ppm rel. toTMS, J Hz, in CDCl3): 126.77, 107.53 (–CH– of cod), 29.72, 27.96 (–CH2– of cod):assignment was based on the 1H–13C HETCOR and 1H–1H COSY spectra; IR, (KBr):m = 1060, 1030 (BF4), cm 1; Anal. Calc. for C16H24RhBF4 (406.07 g/mol): C, 47.33; H, 5.96. Found: C, 46.98; H, 5.82percent
Convenient catalyst precursor, for example, with (R,R)QuinoxP* for asymmetric alkylations and hydrogenations.
Catalyst precursor with chiral biaryl bisphosphine ligands for [2+2+2] enantioenriched cycloadditions.
Computed Properties
Molecular Weight:406.1
Hydrogen Bond Acceptor Count:5
Exact Mass:406.09621
Monoisotopic Mass:406.09621
Heavy Atom Count:22
Formal Charge:-1
Complexity:91.7
Undefined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes
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