2216-90-2

Upstream product

• 103-82-2 phenylacetic acid 
• 4870-65-9 2-bromophenylacetic acid 
• 64-17-5 ethanol 
• 13049-42-8 phenylketene diethylacetal 
• 101-97-3 Ethyl 2-phenylethanoate 
• 75-15-0 carbon disulfide 
• 7726-95-6 bromine 
• 110-86-1 pyridine 
• 7789-60-8 phosphorus tribromide 
• 13704-09-1 (S)-(-)-ethyl mandelate 
• 91-22-5 quinoline 
• 121-69-7 N,N-dimethyl-aniline 
• 5413-05-8 ethyl 2-phenylacetoacetate 
• 1133471-34-7 ethyl 2-bromo-2-(cyclohexa-2,5-dienyl)acetate 

Downstream Products

• 92699-30-4 (+/-)-α-<4-Methyl-piperazyl-(1)>-phenylessigsaeure-aethylester 
• 101112-87-2 (3-methyl-6-oxo-6H-pyridazin-1-yl)-phenyl-acetic acid ethyl ester 
• 50543-55-0 7-methyl-2-phenylbenzofuran 
• 127745-68-0 6-methoxy-3-methyl-2-phenylbenzofuran 
• 857798-18-6 phenyl-(3,1',3'-trioxo-2,3,1',3'-tetrahydro-[1,2']biindenyliden-2-yl)-acetic acid ethyl ester 
• 102167-19-1 [N-(2-dimethylamino-ethyl)-anilino]-phenyl-acetic acid ethyl ester 
• 7182-29-8 5-hydroxy-2-phenylbenzofuran 
• 79309-63-0 ethyl α-ethoxy-α-phenylacetate 
• 131934-09-3 ethyl 2-(hydroxyimino)-2-phenylacetate 
• 13638-89-6 meso-diethyl 2,3-diphenylsuccinate 
• 3059-23-2 dl-Diethyl 2,3-diphenylsuccinate 
• 101736-63-4 [2]naphthylsulfanyl-phenyl-acetic acid 
• 59378-14-2 (2-oxo-cyclohexyl)-phenyl-acetic acid ethyl ester 
• 37563-27-2 ethyl 2-(ethylamino)-2-phenylacetate 

Relevant academic research and scientific papers

New efficient lipase from Yarrowia lipolytica for the resolution of 2-bromo-arylacetic acid esters

A new extracellular lipase (Lip2p) from the yeast Yarrowia lipolytica was used for the resolution of 2-bromo-arylacetic acid esters, an important class of chemical intermediates for the pharmaceutical industry. Its efficiency for the transesterification of racemic mixtures with 1-octanol in n-octane was compared with the most efficient lipases described to date, lipases from Burkholderia cepacia and Rhizomucor miehei. Resolution of 2-bromo-p-tolylacetic acid ethyl ester catalyzed by Y. lipolytica lipase showed an enantiopreference of 28, almost equal to that obtained with B. cepacia lipase (E = 30). Moreover, Y. lipolytica lipase presents a higher catalytic activity and an (S)-enantiopreference, while B. cepacia lipase is (R)-enantiomer selective. The most interesting result is that Y. lipolytica lipase has until now been the only enzyme able to catalyze the resolution of 2-bromo-o-tolylacetic acid ethyl ester (E = 27).

Towards a novel explanation of Pseudomonas cepacia lipase enantioselectivity via molecular modelling of the enantiomer trajectory into the active site

In the transesterification reaction between (RS)-2-bromophenyl acetic acid ethyl ester and 1-octanol in n-octane, Pseudomonas cepacia lipase enantioselectivity towards the (R)-isomer is 57. Two strategies are described to investigate the structural basis involved in this enzyme enantioselectivity. Molecular modelling of the tetrahedral intermediate mimicking the transition state enables the identification of two potentially productive substrate-binding modes for each enantiomer. However, the conformations obtained with the faster and slower-reacting enantiomers have equivalent potential energies and most of them possess the hydrogen bonds essential for catalysis. On this basis, it is not possible to distinguish the diastereomeric complexes. The second approach is original and consists in a simple but robust protocol of pseudomolecular dynamics simulations under constraints to map the probable trajectory of the enantiomers in the active site. Enzyme/substrate interaction energy is always found to be lower for the faster-reacting enantiomer, which satisfactorily corroborates the experimental results. Energy differences are attributed to specific interactions of these substrates with a network of hydrophobic residues lining the access path. Furthermore, mechanistic details suggest that the pivoting side chains of the hydrophobic residues act in a concerted step-tooth gear motion whose basic role is to select and guide the substrates towards the active site. With this type of lipase, such dynamic features could be the key explanation of this as yet unexplored enantiorecognition. For the slower-reacting enantiomer, it appears that the concerted motion of the side chains is perturbed when the substrate passes through a bottleneck formed by Val266 and Leu17. The enantioselectivity of mutant Val266Leu with a more bulky side chain at this position supports our assumption: by narrowing the bottleneck, the enantioselectivity was considerably enhanced as much as up to 200.

PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS

The subject matter described herein is directed to pyruvate kinase activating compounds of Formula I and pharmaceutical salts thereof, methods of preparing the compounds, pharmaceutical compositions comprising the compounds and methods of administering the compounds for the treatment of diseases associated with PKR and/or PKM2, such as pyruvate kinase deficiency, sickle cell disease, and beta-thalassemia.

Bromination of α-Diazo Phenylacetate Derivatives Using Cobalt(II) Bromide

A method for the bromination of α-diazo phenylacetate derivatives using cobalt(II) bromide is described. This bromination reaction features a short reaction time, broad substrate scope, operational simplicity, acid-free conditions, and gram-scalability. (Figure presented.).

Manganese-Catalyzed Dual-Deoxygenative Coupling of Primary Alcohols with 2-Arylethanols

Reported herein is a general and efficient dual-deoxygenative coupling of primary alcohols with 2-arylethanols catalyzed by a well-defined Mn/PNP pincer complex. This reaction is the first example of the catalytic dual-deoxygenation of alcohols using a non-noble-metal catalyst. Both deoxygenative homocoupling of 2-arylethanols (17 examples) and their deoxygenative cross-coupling with other primary alcohols (20 examples) proceeded smoothly to form the corresponding alkenes by a dehydrogenation and deformylation reaction sequence.

Halogenation through Deoxygenation of Alcohols and Aldehydes

An efficient reagent system, Ph3P/XCH2CH2X (X = Cl, Br, or I), was very effective for the deoxygenative halogenation (including fluorination) of alcohols (including tertiary alcohols) and aldehydes. The easily available 1,2-dihaloethanes were used as key reagents and halogen sources. The use of (EtO)3P instead of Ph3P could also realize deoxy-halogenation, allowing for a convenient purification process, as the byproduct (EtO)3Pa?O could be removed by aqueous washing. The mild reaction conditions, wide substrate scope, and wide availability of 1,2-dihaloethanes make this protocol attractive for the synthesis of halogenated compounds.

Mandelic acid derived ionic liquids: synthesis, toxicity and biodegradability

A series of ten ionic liquids (ILs) was synthesised from the renewable resource mandelic acid. The ILs showed low antimicrobial activity towards the thirteen bacterial and twelve fungal strains they were screened against. A general trend of increasing bacterial toxicity in the order methyl ester 60% in 28 days), a series of biodegradation transformation products has been proposed based on the degradation of the ester/amide alkyl chain. This data has allowed for an assessment of the effect of IL structural features on toxicity and biodegradation, particularly allowing for a comparison to earlier work where additional oxygen atoms were present to facilitate biodegradation and attenuate toxicity. The mandelic acid derived ILs did not pass the Closed Bottle test (OECD 301D) and can be included in the rules of thumb for the design of biodegradable ILs.

Application of piperazine structure containing compound to preparation of LSD1 (Lysine Specific Demethylase 1) inhibitor

The invention discloses application of a piperazine structure containing compound to the preparation of a histone lysine specific demethylase (LSD1) inhibitor. The structural general formula of the compound is as shown in the following descriptions (wherein, A is hydrogen, carbonyl or thiocarbonyl) or a configurational isomer and a pharmaceutical salt thereof, or is as shown in the following descriptions or a pharmaceutical salt thereof. The compound has an obvious inhibition effect on the LSD1, can be prepared into the LSD1 inhibitor, and is used for preventing and treating a disease related to the activity of the histone LSD1.

High-selectivity herbicide N-substitutive alkyl aryloxy phenoxyl propanamide compound and preparation and application thereof

The invention discloses novel N-substitutive alkyl aryloxy phenoxyl propanamide with herbicidal activity represented by the formula (I) and a preparation method thereof, a purpose of controlling vacious grassy weeds in a rice field and a proper weeding composition.The formula (I) is shown in the description.In the formula, R1 is selected from hydrogen or C1-C6 alkane, R3 is selected from hydrogen or C1-C6 alkyl groups or C1-C6 halogenated alkyl groups or C2-C6 alkenyl or C2-C6 alkine groups or C5-C12 aryl groups or heterocyclic aryl, Ar is selected from C6-C12 aryl and C5-C12 heterocyclic aryl, part or all of hydrogen atoms in aryl and heterocyclic aryl are replaced with identical or different substituent groups selected from halogen, cyanogroups, nitryl, C1-C6 alkyl groups, C1-C6 alkoxy, C1-C6 alkylthiol, C1-C6 alkyl amidogen, C1-C6 halogen alkyl and C1-C6 halogen alkoxy, x is selected from N and O, and chiral carbon atoms marked with * are of R or S configuration or are a mixture with R and S with different proportions.

Construction of Pyrrolo[1,2-a]indoles via Cobalt(III)-Catalyzed Enaminylation of 1-(Pyrimidin-2-yl)-1H-indoles with Ketenimines and Subsequent Base-Promoted Cyclization

A cobalt(III)-catalyzed cross-coupling reaction of 1-(pyrimidin-2-yl)-1H-indoles with ketenimines is reported. The reaction provided 2-enaminylated indole derivatives in moderate to excellent yields with a broad substrate scope. The prepared 2-enaminylated indoles could be conveniently converted into pyrrolo[1,2-a]indoles, which are an important class of compounds in medicinal chemistry.