96-30-0

Usage

Uses

Used in Pharmaceutical Industry:
2-Chloro-N-methylacetamide is used as a chemical intermediate for the preparation of piperidinylamino pyrrolopyrimidines. These compounds are selective Janus kinase inhibitors, which are important for the treatment of autoimmune diseases and organ transplant rejection. The ability of 2-Chloro-N-methylacetamide to be incorporated into these therapeutic agents highlights its significance in the development of targeted treatments for various medical conditions.

InChI:InChI=1/C3H6ClNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)

Upstream product

• 105-39-5 chloroacetic acid ethyl ester 
• 74-89-5 methylamine 
• 79-04-9 chloroacetyl chloride 
• 112-41-4 1-dodecene 
• 50848-97-0 N-chloro-N-methylchloroacetamide 
• 115584-92-4 (E)-2-Chloro-4,4,5,5,6,6,6-heptafluoro-3-hydroxy-hex-2-enoic acid methyl ester 
• 115525-66-1 (E)-2-Chloro-4,4,5,5,6,6,7,7,7-nonafluoro-3-hydroxy-hept-2-enoic acid methyl ester 
• 96-34-4 methyl chloroacetate 
• 593-51-1 methylamine hydrochloride 
• 3926-62-3 sodium monochloroacetic acid 

Downstream Products

• 103096-30-6 benzimidazol-1-yl-acetic acid methylamide 
• 60-51-5 Dimethoate 
• 37744-84-6 dithiophosphoric acid S-(methylcarbamoyl-methyl ester)-O,O'-dipropyl ester 
• 37744-85-7 dithiophosphoric acid O,O'-diisopropyl ester-S-(methylcarbamoyl-methyl ester) 
• 2605-70-1 Dithiophosphorsaeure-O,O'-diaethylester-S-methylaminocarbonylmethylester 
• 57235-84-4 1-methyl-5-chloromethyl-1,2,3,4-tetrazole 
• 109016-52-6 dimethyl-(methylcarbamoyl-methyl)-(4-nitro-benzyl)-ammonium; bromide 
• 52121-03-6 N-ethylcarbamoyl-N-(5-nitro-thiazol-2-yl)-glycine methylamide 
• 42472-84-4 phtaloyl-glycyl-N-methylamid 
• 140676-68-2 {7-[4-(4-Fluoro-phenyl)-1-methyl-butyl]-10,10-dimethyl-3-methylcarbamoylmethyl-2,3,4,10-tetrahydro-1H-9-oxa-3-aza-phenanthren-5-yloxy}-acetic acid ethyl ester 
• 2757-10-0 (E)-N-methyl-3-phenyl-acrylamide 
• 106231-50-9 2-(benzoyloxy)-N-methylacetamide 
• 113847-65-7 α-diphenylphosphino-N-methylacetamide 
• 182415-48-1 2-[4,10-Bis-(4-methoxy-benzenesulfonyl)-7-methylcarbamoylmethyl-1,4,7,10-tetraaza-cyclododec-1-yl]-N-methyl-acetamide 

Relevant academic research and scientific papers

Amide bond formation in aqueous solution: Direct coupling of metal carboxylate salts with ammonium salts at room temperature

Herein, we report a green, expeditious, and practically simple protocol for direct coupling of carboxylate salts and ammonium salts under ACN/H2O conditions at room temperature without the addition of tertiary amine bases. The water-soluble coupling reagent EDC·HCl is a key component in the reaction. The reaction runs smoothly with unsubstituted/substituted ammonium salts and provides a clean product without column chromatography. Our reaction tolerates both carboxylate (which are unstable in other forms) and amine salts (which are unstable/volatile when present in free form). We believe that the reported method could be used as an alternative and suitable method at the laboratory and industrial scales. This journal is

Palladium-Catalyzed β-C(sp3)-H Arylation of Aliphatic Ketones Enabled by a Transient Directing Group

The direct arylation of aliphatic ketones has been developed via Pd-catalyzed β-C(sp3)-H bond functionalization with 2-(aminooxy)-N,N-dimethylacetamide as a novel transient directing group (TDG), which showed remarkable directing ability to generate arylated products in moderate to good yields. Furthermore, the reaction can tolerate abundant substrate of ketones and aryl iodides. This study expands the scope of applications for TDGs.

Method for preparing O, O-dimethyl-S-methylcarbamoylmethyl phosphorodithioate

The invention belongs to the technical field of pesticides, and particularly relates to a method for preparing O, O-dimethyl-S-methylcarbamoylmethyl phosphorodithioate. Chloroacetyl chloride and dimethyl phosphite are used as raw materials to prepare the O, O-dimethyl-S-methylcarbamoylmethyl phosphorodithioate for the first time, the product prepared by using the method is high in yield and purity, no waste liquid is generated in the preparation process, the preparation process is simple, and reaction mother liquor, such as the mother liquor in the step 1 and the step 3, does not need to be treated and can be recycled 6-8 times; while the yield of the product is further improved, the product keeps a high purity, and the quality of the product is ensured. By using the method, through optimization of a reaction system and selection of reaction details, the yield in the reaction in each step can be high. Besides, by using the method, after the reaction is completed, through simple aftertreatment steps, the water content of the obtained product can be as low as 0.032%, and the problem is solved that the product is decomposed due to high water content.

Continuous-Flow Electrosynthesis of Benzofused S-Heterocycles by Dehydrogenative C?S Cross-Coupling

Reported herein is the synthesis of benzofused six-membered S-heterocycles by intramolecular dehydrogenative C?S coupling using a modular flow electrolysis cell. The continuous-flow electrosynthesis not only ensures efficient product formation, but also obviates the need for transition-metal catalysts, oxidizing reagents, and supporting electrolytes. Reaction scale-up is conveniently achieved through extended electrolysis without changing the reaction conditions and equipment.

N-(3-(2-(4-CHLOROPHENOXY)ACETAMIDO)BICYCLO[1.1.1]PENTAN-1-YL)-2-CYCLOBUTANE-1-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ATF4 INHIBITORS FOR TREATING CANCER AND OTHER DISEASES

The invention is directed to substituted bridged cycloalkane derivatives. Specifically, the invention is directed to compounds according to Formula (I) wherein X, a, b, C, D, L2,L3, Y1, Y2, R2, R4, R5, R6, z2, z4, z5, and z6 are as defined herein, and salts thereof. The invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to compounds for use in methods of inhibiting the ATF4 (activating transcription factor 4) pathway and treatment of disorders associated therewith, such as e.g. cancer, neurodegenerative diseases and many other diseases, using a compound of the invention or a pharmaceutical composition comprising a compound of the invention. Preferred compounds of the invention are N-(3-(2-(4-chlorophenoxy) acetamido)bicyclo[1.1.1]pentan-l-yl)-2-cyclobutane-l-carboxamide derivatives and related compounds.

CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS

Fused aromatic bicyclic substituted 5-(2-amino-4-pyrimidinyl)- cyanoindoline derivatives (I) useful for therapy and/or prophylaxis in a mammal, and in particular to inhibitors of NF-KB-inducing kinase (NIK - also known as MAP3K14) useful for treating diseases such as cancer, inflammatory disorders, metabolic disorders and autoimmune disorders. The invention is also directed to pharmaceutical compositions comprising such compounds, and to the use of such compounds or pharmaceutical compositions for the prevention or treatment of diseases such as cancer, inflammatory disorders, metabolic disorders including obesity and diabetes, and autoimmune disorders.

Synthesis and acaricidal activities of scopoletin phenolic ether derivatives: Qsar, molecular docking study and in silico Adme predictions

Thirty phenolic ether derivatives of scopoletin modified at the 7-hydroxy position were synthesized, and their structures were confirmed by IR,1H-NMR,13C-NMR, MS and elemental analysis. Preliminary acaricidal activities of these compounds against female adults of Tetranychus cinnabarinus (Boisduval) were evaluated using the slide-dip method. The results indicated that some of these compounds exhibit more pronounced acaricidal activity than scopoletin, especially compounds 32, 20, 28, 27 and 8 which exhibited about 8.41-, 7.32-, 7.23-, 6.76-, and 6.65-fold higher acaricidal potency. Compound 32 possessed the the most promising acaricidal activity and exhibited about 1.45-fold higher acaricidal potency against T. cinnabarinus than propargite. Statistically significant 2D-QSAR model supports the observed acaricidal activities and reveals that polarizability (HATS5p) was the most important parameter controlling bioactivity. 3D-QSAR (CoMFA: q2 = 0.802, r2 = 0.993; CoMSIA: q2 = 0.735, r2 = 0.965) results show that bulky substituents at R4, R1, R2 and R5 (C6, C3, C4, and C7) positions, electron positive groups at R5 (C7) position, hydrophobic groups at R1 (C3) and R2 (C4), H-bond donors groups at R1 (C3) and R4 (C6) will increase their acaricidal activity, which provide a good insight into the molecular features relevant to the acaricidal activity for further designing novel acaricidal agents. Molecular docking demonstrates that these selected derivatives display different bide modes with TcPMCA1 from lead compound and they interact with more key amino acid residues than scopoletin. In silico ADME properties of scopoletin and its phenolic ether derivatives were also analyzed and showed potential to develop as good acaricidal candidates.

GLUCOSE UPTAKE INHIBITORS

Provided hererin are compounds that modulate glucose uptake activityand are useful for treating cancer, autoimmune diseases, inflammation, infectious diseases, and metabolic diseases. In certain embodiments, the compounds modulate glucose uptake activity by modulating cellular components, including, but not limited to those related to glycolysis and known transporters/co-transporters of glucose such as GLUT1 and other GLUT family members/alternative hexose transporters. In certain embodiments, the compounds have the structure of formula I: Formula (I) wherein the variables have the values disclosed herein.

Complexes of selected late period lanthanide(III) cations with 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid amide (DOTAM)-alkyl ligands-A new platform for the development of paramagnetic chemical exchange saturation transfer (PARACEST) magnetic resonance imaging (MRI) contrast agents

A series of 18 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid amide (DOTAM)-alkyl derived complexes with selected late lanthanide(III) cations (Dy3+, Tb3+, and Tm3+) has been synthesized; their magnetic properties have been evaluated and compared to those derived from DOTAM. Peralkylation of cyclen with corresponding N-iodoacetyl amines was utilized as the key step in the synthesis. Chemical exchange saturation transfer (CEST) spectra of the complexes have been acquired at 37 C, revealing that Tm3+-derived DOTAM-alkyl complexes possess the most favorable properties as potential paramagnetic chemical exchange saturation transfer (PARACEST) magnetic resonance imaging (MRI) contrast agents.

An ATP-selective, lanthanide complex luminescent probe

A luminescent probe based on a europium complex is developed, which effectively distinguishes adenosine-5′-triphosphate (ATP) from adenosine diphosphate (ADP) and adenosine monophosphate (AMP) in pure water at pH 6.8. With a longer lifetime (in ms range), the probe is prospectively applied to biological systems to monitor ATP levels by completely removing the background fluorescence of other molecules. The Royal Society of Chemistry 2013.