cas 683-60-3, Sodium propan-2-olate | Articles data

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Unprecedented formation of cis- and trans-di[(3-chloropropyl) isopropoxysilyl]-bridged double-decker octaphenylsilsesquioxanes
Silsesquioxane formation competing with the deprotonation of alcohol solvents in the presence of a strong base to form alkoxides is reported for the first time. Evidently, sodium isopropoxide is formed during the synthesis of the sodium salt of a double-decker octaphenylsilsesquioxane tetrasilanolate in 2-propanol as the solvent, which leads to the formation of unexpected cis- and trans-di[(3-chloropropyl)isopropoxysilyl]-bridged double-decker octaphenylsilsesquioxanes after in situ coupling with 3- chloropropyltrichlorosilane. The desired products were characterized by 1H NMR, 13C NMR, and 29Si NMR spectroscopy; ESI-MS; and single-crystal X-ray diffraction. During the synthesis of the sodium salt of double-decker octaphenylsilsesquioxane tetrasilanolate in 2-propanol, sodium isopropoxide is formed, which leads to the formation of unexpected cis- and trans-di[(3-chloropropyl)isopropoxysilyl]-bridged double-decker octaphenylsilsesquioxanes after in situ coupling with 3- chloropropyltrichlorosilane. Copyright
Ervithayasuporn, Vuthichai,Sodkhomkhum, Rapheepraew,Teerawatananond, Thapong,Phurat, Chuttree,Phinyocheep, Pranee,Somsook, Ekasith,Osotchan, Tanakorn
p. 3292 - 3296
(2013)
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Synthesis and application of 1-benzyl-4-methyl-5-alkoxy-1, 2, 3, 6-tetrahydropyridine derivative
The invention relates to the field of synthesis of drug intermediates, in particular to the field of synthesis of key intermediates for preparing anti-rheumatoid arthritis drug tofacitinib, and specifically relates to a 1-benzyl-4-methyl-5-alkoxy-1, 2, 3, 6-tetrahydropyridine compound, a synthetic method thereof, and an application of the 1-benzyl-4-methyl-5-alkoxy 1, 2, 3, 6-tetrahydropyridine compound in preparation of a key intermediate cis-1-benzyl-3-methylamino-4-methyl piperidine of tofacitinib.
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Paragraph 0119-0122

(2021/04/14)

Catalytic Regioselective Olefin Hydroarylation(alkenylation) by Sequential Carbonickelation-Hydride Transfer
Alkene hydrocarbofunctionalization represents one of the most important classes of chemical transformations, but related branched-selective examples with unactivated olefins are scarce. Here, we report that catalytic amounts of a dimeric Ni(I) complex and an exogenous alkoxide base promote Markovnikov-selective hydroarylation(alkenylation) of unactivated and activated olefins using organo bromides or triflates derived from widely available phenols and ketones. Products bearing aryl- and alkenyl-substituted tertiary and quaternary centers could be isolated in up to 95% yield and >99:1 regioisomeric ratios. Contrary to previous dual-catalytic methods that rely on metal-hydride atom transfer (MHAT) to the olefin prior to carbofunctionalization with a cocatalyst, our mechanistic evidence points toward a nonradical reaction pathway that begins with site-selective carbonickelation across the C═C bond followed by hydride transfer using alkoxide as the hydride source. Utility of the single-catalyst protocol is highlighted through the synthesis of medicinally relevant scaffolds.
Liu, Chen-Fei,Luo, Xiaohua,Wang, Hongyu,Koh, Ming Joo
supporting information
p. 9498 - 9506
(2021/07/19)

Rhodium-Catalyzed meta-Selective C?H Carboxylation Reaction of 1,1-Diarylethylenes via Hydrorhodation-Rhodium Migration
A meta-selective C?H carboxylation reaction of 1,1-diarylethylene derivatives with CO2 by using a rhodium catalyst with NaOiPr as a stoichiometric reductant has been achieved. Together with hydrogenation of the ethylene moiety, a carboxyl group was introduced to the meta-position of the aryl ring with high selectivity over the ortho-positions. Experimental and computational mechanistic studies indicate that this carboxylation reaction proceeds via hydrorhodation on the ethylene moiety, followed by 1,4-rhodium migration and successive 1,2-rhodium migration on the aryl ring. The use of a bulky phosphine ligand seems to be the key to this unusual aryl-to-aryl 1,2-rhodium shift.
Caner, Joaquim,Iwasawa, Nobuharu,Saito, Takanobu,Toriumi, Naoyuki
supporting information
p. 23349 - 23356
(2021/09/18)

NHC-CDI Betaine Adducts and Their Cationic Derivatives as Catalyst Precursors for Dichloromethane Valorization
Zwitterionic adducts of N-heterocyclic carbene and carbodiimide (NHC-CDI) are an emerging class of organic compounds with promising properties for applications in various fields. Herein, we report the use of the ICyCDI(p-Tol) betaine adduct (1a) and its cationic derivatives2aand3aas catalyst precursors for the dichloromethane valorization via transformation into high added value products CH2Z2(Z = OR, SR or NR2). This process implies selective chloride substitution of dichloromethane by a range of nucleophiles Na+Z-(preformed or generatedin situfrom HZ and an inorganic base) to yield formaldehyde-derived acetals, dithioacetals, or aminals with full selectivity. The reactions are conducted in a multigram-scale under very mild conditions, using dichloromethane both as a reagent and solvent, and very low catalyst loading (0.01 mol %). The CH2Z2derivatives were isolated in quantitative yields after filtration and evaporation, which facilitates recycling the dichloromethane excess. Mechanistic studies for the synthesis of methylal CH2(OMe)2rule out organocatalysis as being responsible for the CH2transfer, and a phase-transfer catalysis mechanism is proposed instead. Furthermore, we observed that1aand2areact with NaOMe to form unusual isoureate ethers, which are the actual phase-transfer catalysts, with a strong preference for sodium over other alkali metal nucleophiles.
Sánchez-Roa, David,Mosquera, Marta E. G.,Cámpora, Juan
p. 16725 - 16735
(2021/11/18)

BORON CONTAINING COMPOUNDS AND THEIR USES
The present disclosure contemplates novel boron-containing compounds and their uses as active agents that exhibit pesticidal activity such as antimicrobial, insecticidal, arachnicidal, and/or anti parasitic activity. An agrochemical composition containing such a compound and its use in, animal health, agriculture, or horticulture is also contemplated. A method for promoting plant performance and/or controlling, reducing, preventing, ameliorating, or inhibiting microbes, insects, arachnids, and/or parasites on or in an animal, a plant, a plant part, plant propagation material, and/or harvested fruits or vegetables is also contemplated.
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Paragraph 0296; 0297

(2020/03/29)

Asymmetric Transfer Hydrogenation with a Bifunctional Iron(II) Hydride: Experiment Meets Computation
Hydride cis-β-[FeH(CNCEt3)(1)]BF4 (5) (1 is a chiral N2P2 macrocycle) is the catalytically active species in the asymmetric transfer hydrogenation of ketones formed upon reaction of [Fe(CNCEt3)2(1)](BF4)2 (3) with base. Stoichiometric reactions show that hydride 5 is formed by H-elimination from the 2-propoxo complex [Fe(OiPr)(CNCEt3)(1)]BF4 (8a) and inserts the C=O bond of acetophenone to give the diastereoisomeric alcoholato complexes [Fe(OCH(Me)Ph)(CNCEt3)(1)]BF4 (10R and 10S). Complexes 5, 8a, and 10 were characterized by NMR spectroscopy, and their structures were calculated by DFT. The DFT study supports a bifunctional mechanism with the alkoxo complexes 8a and 10 as resting species. The stereochemical model reproduces the high enantioselectivity with acetophenone, which results from the combination of the rigid macrocyclic scaffold with the bulky, yet conformationally flexible isonitrile.
De Luca, Lorena,Passera, Alessandro,Mezzetti, Antonio
supporting information

(2019/02/14)

Surface properties of ceria synthesised using Triton-X based reverse microemulsions
The effect of the tail length of Triton-X surfactants on the surface properties of ceria prepared by means of reversed micelles and Ce(OiPr)4 has been systematically studied. Generally, solids with increased surface areas (up to 136 m2 g-1) were synthesised. It was shown that the tail length strongly affects the surface characteristics. Further studies were carried out using UV-Vis, ATR-FTIR, XRD and TGA/DSC studies of the precursor gels as well as N2-isothermal adsorption BET, XRD, FT-IR, UV-Vis diffuse reflectance and SEM investigations of the final solids samples. An interaction mechanism between the ceria precursor molecules and the polar tail of the reversed Triton X micelles and the formation of ceria (CeO2) particles in the aqueous nucleus of the reversed microemulsions is proposed.
Paschalidou, Polyxeni,Theocharis, Charis R.
p. 7025 - 7031
(2019/03/14)

ISOXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PULMONARY DISEASES AND DISORDERS
The present disclosure features disclosed method of treating disorders such as COPD, bronchitis and/or asthma using disclosed compounds, optionally together with one or more additional active agents. Contemplated methods include administrating orally or by inhalation to a patient one or more disclosed compounds.
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Paragraph 0497-0500

(2017/03/21)

Highly Enantioselective Hydrogenation of Amides via Dynamic Kinetic Resolution Under Low Pressure and Room Temperature
High-throughput screening and lab-scale optimization were combined to develop the catalytic system trans-RuCl2((S,S)-skewphos)((R,R)-dpen), 2-PrONa, and 2-PrOH. This system hydrogenates functionalized α-phenoxy and related amides at room temperature under 4 atm H2 pressure to give chiral alcohols with up to 99% yield and in greater than 99% enantiomeric excess via dynamic kinetic resolution.
Rasu, Loorthuraja,John, Jeremy M.,Stephenson, Elanna,Endean, Riley,Kalapugama, Suneth,Clément, Roxanne,Bergens, Steven H.
supporting information
p. 3065 - 3071
(2017/03/11)

Preparation method for low residual granular sodium alkoxide or potassium alcoholate
The invention provides a preparation method for low residual granular sodium alkoxide or potassium alcoholate. The method includes using sodium or potassium and alcohol as raw materials, mixing the mixture with a solvent, reacting in inert gas atmosphere by using a microwave heating method, and removing the residual alcohol and solvent in the presence of microwave after the reaction to get the granular sodium alkoxide or potassium alcoholate. The microwave frequency is 2450 +/- 50 MHz. The method can prepare sodium alkoxide or potassium alcoholate with low residual solvent, and the prepared sodium alkoxide or potassium alcoholate is large granular solid, so that the development from powdered product to granular product can be realized, and the problems of residual solvent and potential risk troubled human for a long time can be overcome.
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Paragraph 0031-0032

(2017/01/17)

COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY
The present disclosure features disclosed compounds which can increase cystic fibrosis transmembrane conductance regulator (CFTR) activity as measured in human bronchial epithelial (hBE) cells. The present disclosure also features methods of treating a condition associated with decreased CFTR activity or a condition associated with a dysfunction of proteostasis comprising administering to a subject an effective amount of a disclosed compound.
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Paragraph 0550

(2016/02/24)

A novel approach to RE-OR bond from in situ reaction of rare earth triflates and sodium alkoxides: A versatile catalyst for living ring-opening polymerization of ε-caprolactone
A series of rare earth triflates (RE(OTf)3, RE = Sc, Y and Lu) were used for the first time as moisture-stable precursors to generate rare earth alkoxide complexes through an in situ reaction with sodium alkoxides (NaOR) in tetrahydrofuran. 1H NMR and 13C NMR results confirmed the fast ligands exchange process and the formation of rare earth-oxygen (RE-OR) bond. The in situ formed catalysts displayed high reactivity toward living ring-opening polymerization (ROP) of ε-caprolactone (CL). For instance, Lu(OTf)3/sodium isopropoxide (NaOiPr)-catalyzed ROP of CL with the [CL]0/[NaO iPr]0/[Lu(OTf)3]0 feeding ratio of 300/3/1 produced poly(ε-caprolactone) (PCL) with controlled molecular weight (Mn,exp = 11.9 kDa vs Mn,theo = 11.8 kDa) and narrow polydispersity (PDI) of 1.08 within 3 min at 25°C. The kinetic studies and chain extension confirmed the controlled/living nature for the Lu(OTf)3/NaOiPr-catalyzed ROP of CL. In addition, end-functionalized PCLs bearing vinyl or alkynyl group with narrow PDIs were obtained by using functional sodium alkoxides in the presence of Lu(OTf) 3. 1H NMR and MALDI-ToF MS analyses of the obtained PCLs clearly indicated the presence of the residue of OR groups at the chain ends. A coordination-insertion polymerization mechanism was proposed including a fast ligand exchange between Lu(OTf)3 and NaOR giving the respective lutetium alkoxide complexes, and a CL insertion into RE-OR bond via acyl-oxygen cleavage.
You, Lixin,Shen, Zhiquan,Kong, Jie,Ling, Jun
p. 2404 - 2410
(2014/05/20)

Solubility of sodium sulfide in alcohols
The solubility of sodium sulfide in methanol, ethanol, 2-propanol, 2-methyl-1-propanol, and benzyl alcohol and the acid-base interaction of these compounds have been determined at (20 and 35) °C. The reactions result in the formation of sodium alkoxide and hydrosulfide. The reported values on the solubility of sodium sulfide in alcohols differ essentially from the data described in the literature.
Kurzin, Alexander V.,Evdokimov, Andrey N.,Golikova, Valerija S.,Pavlova, Olesja S.
experimental part
p. 4080 - 4081
(2011/05/28)

HERBICIDAL COUMPOUNDS
The present invention relates to novel herbicidal [l,8]-naphthyridines of Formula (Ia) or (Ib), or an agronomically acceptable salt of said compound wherein R2, R3, R4, R5,R6,R7, R8, n, m, X and Q are as defined herein. The invention further relates to processes and intermediates for the preparation of the [l,8]-naphthyridines, to compositions which comprise the herbicidal compounds, and to their use for controlling weeds, in particular in crops of useful plants.
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Page/Page column 87

(2009/10/22)

Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp)
The present invention relates to compounds of formula I: and pharmaceutically acceptable salts or tautomers thereof which are inhibitors of poly(ADP-ribose)polymerase (PARP) and thus useful for the treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, vascular diseases other than cardiovascular diseases, diabetes mellitus, neurodegenerative diseases, retroviral infections, retinal damage, skin senescence and UV-induced skin damage, and as chemo- or radiosensitizers for cancer treatment.
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Page/Page column 33

(2009/07/18)

NEW PYRIDINE ANALOGUES
The present invention relates to certain new pyridin analogues of Formula (I) Chemical formula should be inserted here. Please see paper copy Formula (I) to processes for preparing such compounds, to their utility as P2Y12 inhibitors and as anti-trombotic agents etc, their use as medicaments in cardiovascular diseases as well as pharmaceutical compositions containing them.
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Page/Page column 122

(2008/06/13)

NOVEL PYRIDINE COMPOUNDS
The present invention relates to certain novel pyridin compounds of Formula ( I ) to processes for preparing such compounds, to their utility as P2Y12 inhibitors and as anti-trombotic agents etc, and processes for their preparation, their use as medicaments in cardiovascular diseases as well as pharmaceutical compositions containing them.
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Page/Page column 239

(2008/06/13)

Heterocyclic Anti-Viral Compounds Comprising Metabolizable Moieties And Their Uses
The present invention relates to prodrugs and compositions thereof useful for treating or preventing Hepatitis C virus (HCV) infections. In particular, the present invention relates to prodrugs of substituted diphenyl-, diheteroaryl- and mixed phenyl heteroaryl substituted five-membered heterocycle compounds, compositions comprising the compounds and the use of such compounds and compositions to inhibit HCV replication and/or proliferation as a therapeutic approach towards the treatment and/or prevention of HCV infections in humans and animals.
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Page/Page column 42

(2008/06/13)

RARE EARTH ALKOXIDE SOLUTION FOR ASYMMETRIC SYNTHETIC CATALYST MATERIAL, AND METHOD FOR PRODUCTION THEREOF
PROBLEM TO BE SOLVED: To provide a rare earth alkoxide solution for an asymmetric synthetic catalyst material exerting stable high catalytic activity, and to provide a method for production thereof. SOLUTION: This method comprises obtaining a crude rare earth alkoxide solution by reacting a rare earth metal and an alcohol or reacting a rare earth metal chloride and an alkali metal alkoxide in an alcohol-containing solvent, exchanging the alcohol or solvent to a 6-10C aromatic or 5-12C saturated hydrocarbon solvent without completely removing the alcohol or solvent to dry, filtering the resulting solution and adjusting its concentration to produce the rare earth alkoxide solution having high catalytic activity and high reproducibility.
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Page/Page column 7-8

(2008/06/13)

SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS
The present invention relates to a class of substituted triazoles of formula (I) with activity as oxytocin antagonists, uses thereof, processes for the preparation thereof and compositions containing said inhibitors. These inhibitors have utility in a variety of therapeutic areas including sexual dysfunction, particularly premature ejaculation (P.E.).
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Page/Page column 76

(2010/02/13)

COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS
The invention provides compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with the activity of the Peroxisome Proliferator-Activated Receptor (PPAR) families, particularly the activity of PPAR.
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Page/Page column 52

(2010/02/14)

Cyanoiminoquinoxaline derivatives
A cyanoiminoquinoxaline derivative of the formula (II) is useful as a preventive or therapeutic agent for diseases due to hyperexcitation of glutamate receptors. (wherein, X and Y each is independently O or NCN, provided that at least one of X and Y is NCN; R1, R2, R3, and R4each is independently hydrogen, halogen, nitro, optionally substituted heterocyclic group etc.; R5is hydrogen etc.; R1and R2, R2and R3, R3and R4, and R4and R5, each taken together with the adjacent atoms may form a carbocycle which may be substituted or may contain a heteroatom(s).)
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(2008/06/13)

Herbicidal 1,2,4,6-thiatriazines
Compounds of formula (I), in which R1, R2 and R3 are as defined in claim 1, are particularly suitable as herbicides.
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Page column 264

(2008/06/13)

Fused pyridine derivatives
The present provides a condensed pyridine compound (I) represented by the following formula: (wherein, R2represents ring A represents benzene ring, pyridine ring, thiophene ring or furan ring; and B represents its pharmaceutically acceptable salt or hydrates thereof, which is a clinically useful medicament having a serotonin antagonism, in particular, that for treating, ameliorating or preventing spastic paralysis or central muscle relaxants for ameliorating myotonia.
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Example 143

(2010/01/30)

Phenylazoanilines
Azo dyes of the formula STR1 where X is oxygen or a radical of the formula NR6, where R6 is hydrogen or substituted or unsubstituted C1 -C13 -alkyl, R1 is substituted or unsubstituted C1 -C13 -alkyl or substituted or unsubstituted phenyl, Y is hydrogen, halogen or cyano, Z is nitro or additionally cyano when Y is halogen or cyano, R2 is C1 -C4 -alkyl, methoxymethyl or substituted or unsubstituted phenyl, R3 is hydrogen, C1 -C4 -alkoxy or C1 -C4 -alkyl, and R4 and R5 are each substituted or unsubstituted C2 -C13 -alkyl or C2 -C6 -alkenyl, are useful for dyeing or printing synthetic materials and are synthesizable using novel dinitroaminoaromatics as diazo components.
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(2008/06/13)

Process for obtaining 4-hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
A process for obtaining 4-hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, which may be used as a non-steroidal analgesic and anti-inflammatory drug. The process comprises reacting saccharin sodium with isopropyl chloroacetate in dimethylformamide, reacting the resultant isopropyl 3-oxo-1,2-benzoisothiazoline-2-acetate 1,1-dioxide with sodium isopropylate in isopropanol to produce an intermediate which, when methylated in an aqueous-alcoholic basic medium with dimethyl sulfate, gives an intermediate compound which when condensed with 2-aminopyridine in xylene, yields 4-hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazone-3-carboxamide 1,1-dioxide.
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(2008/06/13)

8-[2-IMIDAZOLYLMETHYLOXY(THIO, OR AMINO)]-IMIDAZO[1,2-a]PYRAZINES AND DERIVATIVES FOR TREATING HYPERTENSION
8-2-Imidazolylmethyloxy(thio, or amino)!-imidazo 1,2-a!pyrazines and derivatives and acid addition salts thereof are central adrenergic receptor agonists and thereby useful as antihypertensives.
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(2008/06/13)

Kinetic studies of the reactions of 4-nitrobenzofuroxan with cyanide ion and isopropoxide ion in isopropanol
Kinetic studies of the reactions in isopropanol of 4-nitrobenzofuroxan with cyanide ion and isopropoxide ion have been carried out over the temperature range 15.0 to 35.0 deg C.For both bases, the first species identifiable using stopped-flow reaction techniques is postulated to be a C-7 ?-complex of 4-nitrobenzofuroxan and base.Specific rate constants and activation parameters for the formation of these ?-complexes are compared to corresponding data relating to the formation of cyanide ion and isopropoxide ion - ?-complexes of 1,3,5-trinitrobenzene in isopropanol.
Moir, Michael E.,Norris, Albert R.
p. 1691 - 1696
(2007/10/02)

Pyrazinecarboxamides and processes for preparing same
The case involves novel pyrazinecarboxamides and processes for preparing same. The pyrazinecarboxamides are excellent eukalemic agents possessing diuretic and natriuretic properties.
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(2008/06/13)

Preparation of 1-(lower alkyl)-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acids
A process for producing a compound of the formula: SPC1 Wherein Z is CH or N; R is a lower alkyl group, a lower alkenyl group, a cycloalkyl group or a hydroxyalkyl group; R1 is a hydrogen atom or lower alkyl group; when Z is N, R2, R3 and R4 are a hydrogen atom, a halogen atom a lower alkyl group, a lower alkoxyl group, a lower hydroxyalkyl group, a lower acyloxyalkyl group, trihalogenoalkyl group, a carboxyl group, a cyano group, or an aralkyl group; when Z is CH, R2, R3 and R4 are a hydrogen atom, a halogen atom, a lower alkyl group, a lower alkoxyl group, a trihalogenoalkyl group, a cyano group, a nitro group, an alkylmercapto group, a lower alkylenedioxy group, or a lower alkylene bridge attached to the quinoline nucleus, which comprises heating a compound of the formula SPC2 Wherein R, R1, R2, R3, R4 and Z are as defined above, followed, if desired, by hydrolyzing the product obtained, is disclosed. The product is useful as an antibacterial agent. An intermediate having the formula: SPC3 Wherein A is OR or a halogen atom, and R, R1, R2, R3, R4 and Z are as defined above, and a process for its preparation are also disclosed.
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(2008/06/13)