926-59-0

Basic information

• Product Name: sodium (E)-3-oxobut-1-en-1-olate
• Synonyms: sodium (E)-3-oxobut-1-en-1-olate;(E)-3-oxobut-1-en-1-olate
• CAS NO: 926-59-0
• Molecular Formula: C₄H₅O₂*Na
• Molecular Weight: 108.07
• Mol File: 926-59-0.mol

Chemical Properties

• Boiling Point: 178.9°Cat760mmHg
• Flash Point: 67.4°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 0.289mmHg at 25°C
• CAS DataBase Reference: sodium (E)-3-oxobut-1-en-1-olate(CAS DataBase Reference)
• NIST Chemistry Reference: sodium (E)-3-oxobut-1-en-1-olate(926-59-0)
• EPA Substance Registry System: sodium (E)-3-oxobut-1-en-1-olate(926-59-0)

Safety Data

• Hazardous Substances Data: 926-59-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C4H6O2.Na/c1-4(6)2-3-5;/h2-3,5H,1H3;/q;+1/p-1/b3-2+;

Upstream product

• 107-31-3 Methyl formate 
• 67-64-1 acetone 
• 124-41-4 sodium methylate 
• 109-94-4 formic acid ethyl ester 
• 201230-82-2 carbon monoxide 

Downstream Products

• 160663-31-0 2,2-Dichloro-3-oxo-butyraldehyde 
• 20082-91-1 4,4-diethoxybutan-2-one 
• 65169-38-2 2-chloro-4-methyl-3-pyridinecarbonitrile 
• 5436-21-5 acetylacetaldehyde dimethyl acetal 
• 4652-27-1 4-methoxy-3-buten-2-one 
• 93271-59-1 1,2-dihydro-2-oxo-4-methylpyridine-3-carbonitrile 
• 1190-91-6 4-dimethylamino-3-buten-2-one 
• 4241-27-4 1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile 
• 59951-32-5 (Z)-4-(cyclohexylamino)but-3-en-2-one 
• 92676-71-6 (Z)-4-(allylamino)but-3-en-2-one 
• 92676-72-7 cis-1-isopropylamino-1-buten-3-one 
• 56570-43-5 (Z)-4-(benzylamino)-but-3-en-2-one 
• 76946-78-6 (3E)-4-[methyl(phenyl)amino]but-3-en-2-one 
• 15295-33-7 (3Z)-4-[(4-nitrophenyl)amino]but-3-en-2-one 

Relevant articles and documents

Design, synthesis and biological activities of pyrrole-3-carboxamide derivatives as EZH2 (enhancer of zeste homologue 2) inhibitors and anticancer agents

Zeste enhancer homolog 2 (EZH2) is highly expressed in various malignant tumors, which could silence tumor suppressor genes via trimethylation of H3K27. Herein was first reported a novel series of pyrrole-3-carboxamide derivatives carrying a pyridone fragment as EZH2 inhibitors. By combining computational modeling, in vitro cellular assays and further rational structure-activity relationship exploration and optimization, compound DM-01 showed powerful inhibition towards EZH2. DM-01 was found to have significant ability to reduce the cellular H3K27me3 level in K562 cells in the Western blot test. Meanwhile, our data showed that knockdown EZH2 in A549 cells resulted in a decrease of cell sensitivity to DM-01 at 50 and 100 μM. DM-01 could also increase the transcription expression of DIRAS3 in a dose-dependent manner, a tumor suppressor in the downstream of EZH2, suggesting it was worth investigating further as a lead compound.

A Method for the Preparation of β-Amino-α,β-unsaturated Carbonyl Compounds: Study of Solvent Effect and Mechanism

An efficient method for the preparation of β-amino-α,β-unsaturated carbonyl compounds is demonstrated. Bench-stable sodium 3-oxo-enolates were prepared from carbonyl compounds, and reacted with amines in the presence of an acid and a desiccant. DFT studie

Compound preparation method

The invention relates to a compound preparation method. Organic solvents and sodium methylate are added into a reaction vessel, carbon monoxide is led into the reaction vessel to perform reaction, acetone and organic solvent mixed solution is dropped after reaction to continue reaction to generate an intermediate sodium salt as shown in a formula I, the intermediate sodium salt reacts with dimethylamine to generate 4-N, N-dimethyl butene-3-ketone as shown in a formula II. Synthesis steps can be finished in one vessel, and the compound preparation method is low in cost and suitable for industrialization production.

Pyrrole-3-formamide compound as well as preparation method and application thereof

The invention belongs to the technical field of medicines, and relates to a pyrrole-3-formamide compound as well as a preparation method and application thereof, in particular to a pyrrole-3-formamidecompound shown as a formula (I) or (II) and a pharmaceutically-acceptable salt thereof, wherein R to R and X are defined in the claims and description. The preparation of the compound mainly comprises performing Knorr pyrrole synthesis, Hantzsch pyrrole synthesis, decarboxylation, alkylation, hydrolysis, condensation, cyclization and reduction on ethyl acetoacetate or tert-butyl acetoacetate serving as the raw material. The pyrrole-3-formamide compound and the pharmaceutically-acceptable salt thereof have good treatment effects on tumors, and can be applied to the preparation of anti-tumor drugs. (The formulas (I) and (II) are shown in the description).

MANUFACTURE OF HYDRAZINYL COMPOUNDS USEFUL IN THE MANUFACTURE OF PYRAZOLE CARBOXYLIC ACID AND DERIVATIVES, HYDRAZINYL COMPOUNDS AND THEIR USE

The present invention concerns the manufacture of hydrazinyl compounds useful in the manufacture of pyrazole carboxylic acid and derivatives thereof and processes for the manufacture of agrochemical or pharmaceutical compounds. The invention also concerns hydrazinyl compounds and their use.

METHOD FOR THE PREPARATION OF 3-FLUOROALKYL-1-METHYLPYRAZOL-4-CARBOXYLIC ACID

The present invention relates to method for the preparation of 3-fluoroalkyl-1-methylpyrazol-4-carboxylic acid, wherein it comprises the following steps: step 1, fluoroacetyl fluoride derivative shown in Formula I undergoes condensation with dimethylamino vinyl methyl ketone, as a result, 3-dimethylamino methylene-fluoro-2,4-pentanedione derivative shown in Formula II is formed; step 2, ring closing reaction takes place between said 3-dimethylamino methylene-fluoro-2,4-pentanedione shown in Formula II and methylhydrazine, in this way, 3-fluoroalkyl-1-methyl-4-acetyl pyrazol derivative shown in Formula III is obtained; step 3, the said 3-fluoroalkyl-1-methyl-4-acetyl pyrazol derivative shown in Formula III is oxidized in the presence of alkali, and then acidified, in this way, 3-fluoroalkyl-1-methylpyrazol-4-carboxylic acid shown in Formula IV is formed. Preparing method of present invention, wherein the required preparing route is simple, the raw material cost is low, the resulting yield of each step is high, and it is suitable for industrialization.

Method for preparing 2-chloro-4-methylpyridine-3-carbonitrile

The invention discloses a method for preparing 2-chloro-4-methylpyridine-3-carbonitrile. The method comprises the following steps: at -20 DEG C to 50 DEG C, a hydrogen chloride solution is used for treating raw materials containing 4,4-dicyano-3-methyl-3-butenal dimethyl acetal. 2-chloro-4-methylpyridine-3-carbonitrile whose HPLC purity reaches 99% or above can be conveniently obtained, which has important meanings for subsequent preparation of high purity 2-chloro-4-methylpyridine-3-carbonitrile and nevirapine; the method has the advantages of short process route, simple operation, high yield, low cost, etc., a highly toxic product phosphorous oxychloride is avoided, discharge of waste water is reduced, and the method is very suitable for industrial production.

A scalable and regioselective synthesis of 2-difluoromethyl pyridines from commodity chemicals

A scalable de novo synthesis of difluoromethyl pyridines from inexpensive materials is reported. The pyridyl subunit is built around the difluoromethyl group rather than a late stage introduction of this moiety. This user-friendly approach allows access to a diverse range of substitution patterns on all positions on the ring system and on the difluoromethyl group.

3,3-SPIROINDOLINONE DERIVATIVES

There are provided compounds of the general formulas wherein X, Y, R1, R2, R3, R4 and R5 are as described herein. The compounds exhibit anticancer activity.

Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease

Disclosed herein are sulfonamide compounds of Formula VII as described herein. Methods and compositions are disclosed for treating disease states including, but not limited to cancers, autoimmune diseases, tissue damage, central nervous system disorders, neurodegenerative disorders, fibrosis, bone disorders, polyglutamine-repeat disorders, anemias, thalassemias, inflammatory conditions, cardiovascular conditions, and disorders in which angiogenesis play a role in pathogenesis, using the compounds of the invention. In addition, methods of modulating the activity of histone deacetylase (HDAC) are also disclosed.