39757-35-2

Basic information

• Product Name: METHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE
• Synonyms: METHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE;ART-CHEM-BB B018672;4-(4-CHLORO-PHENYL)-2,4-DIOXO-BUTYRIC ACID METHYL ESTER;AKOS BBS-00001164;AKOS B018672;SALOR-INT L499226-1EA;Methyl 4-chloro-a,g-dioxo-benzenebutanoate
• CAS NO: 39757-35-2
• Molecular Formula: C₁₁H₉ClO₄
• Molecular Weight: 240.64
• Mol File: 39757-35-2.mol

Chemical Properties

• Melting Point: 118-120°C
• Boiling Point: 381.9°Cat760mmHg
• Flash Point: 164.9°C
• Appearance: /
• Density: 1.314g/cm³
• Vapor Pressure: 1.95E-06mmHg at 25°C
• Refractive Index: 1.573
• PKA: 5.66±0.25(Predicted)
• CAS DataBase Reference: METHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE(39757-35-2)
• EPA Substance Registry System: METHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE(39757-35-2)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 39757-35-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
METHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE is used as a key intermediate in the synthesis of pharmaceutical drugs for its ability to contribute to the development of new medications.
Used in Organic Compound Production:
In the chemical industry, METHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE is used as an intermediate in the production of various organic compounds, highlighting its versatility in chemical synthesis processes.

InChI:InChI=1/C11H9ClO4/c1-16-11(15)10(14)6-9(13)7-2-4-8(12)5-3-7/h2-6,13H,1H3

Upstream product

• 553-90-2 Dimethyl oxalate 
• 99-91-2 para-chloroacetophenone 

Downstream Products

• 381203-14-1 (E)-4-(4-Chloro-phenyl)-2-(4-ethoxy-phenylamino)-4-oxo-but-2-enoic acid methyl ester 
• 84879-17-4 OC₆H₄CH₂OB(ClC₆H₄COCHCOCOOCH₃) 
• 84879-21-0 OCH₂C(CH₃)2CH₂OB(ClC₆H₄COCHCOCOOCH₃) 
• 81282-12-4 ethyl 5-(4-chlorophenyl)isoxazole-3-carboxylate 
• 170571-20-7 methyl-1-[4-(aminosulfonyl)phenyl]-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate 
• 174815-87-3 4-p-chlorobenzoyl-1-p-ethoxyphenyl-5-methoxycarbonyl-2,3-dihydropyrrole-2,3-dione 
• 147950-36-5 10a-methoxycarbonyl-4-p-chlorophenyl-1-p-ethoxyphenyl-2,3-dihydro-1H,4H-pyrrolo<2,3-b><1,5>benzothiazepine-2,3-dione 
• 170569-75-2 methyl [1-(4-aminosulfonylphenyl)-4-chloro-5-(4-chlorophenyl)-1H-pyrazol-3-yl]carboxylate 
• 170572-00-6 [1-(4-aminosulfonylphenyl)-4-chloro-5-(4-chlorophenyl)-1H-pyrazol-3-yl]carboxamide 
• 170572-05-1 [1-(4-aminosulfonylphenyl)-4-chloro-5-(4-chlorophenyl)-1H-pyrazol-3-yl]carboxylic acid 

Relevant articles and documents

Design, synthesis, biological evaluation and in silico studies of pyrazole‐based nh2‐acyl oseltamivir analogues as potent neuraminidase inhibitors

Oseltamivir represents one of the most successful neuraminidase (NA) inhibitors in the current anti‐influenza therapy. The 150‐cavity of NA was identified as an additional binding pocket, and novel NA inhibitors have been designed to occupy the 150‐cavity

Novel N-Substituted oseltamivir derivatives as potent influenza neuraminidase inhibitors: Design, synthesis, biological evaluation, ADME prediction and molecular docking studies

The discovery of novel potent neuraminidase (NA) inhibitors remains an attractive approach for treating infectious diseases caused by influenza. In this study, we describe the design and synthesis of novel N-substituted oseltamivir derivatives for probing the 150-cavity which is nascent to the activity site of NA. NA inhibitory studies showed that new derivatives demonstrated the inhibitory activity with IC50 values at nM level against NA of a clinical influenza virus strain. Moreover, the in silico ADME predictions showed that the selected compounds had comparable properties with oseltamivir carboxylate, which demonstrated the druggablity of these derivatives. Furthermore, molecular docking studies showed that the most potent compound 6f and 10i could adopt different modes of binding interaction with NA, which may provide novel solutions for treating oseltamivir-resistant influenza. Based on the research results, we consider that compounds 6f and 10i have the potential for further studies as novel antiviral agents.

CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME

The present disclosure provides, in part, cyclic sulfamide compounds, and pharmaceutical compositions thereof, useful as modulators of Hepatitis B (HBV) core protein, and methods of treating Hepatitis B (HBV) infection.

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A series of 2-oxo-2-phenylethylidene linked 2-oxo-benzo[1,4]oxazine analogues 17a–x and 18a–o, incorporated with a variety of electron-withdrawing as well as electron-donating groups at ring A and ring C, were synthesized under greener conditions in excel

Design, synthesis and bioactivities of novel isoxazole-containing pyrazole oxime derivatives

In this study, in order to find novel biologically active pyrazole oxime derivatives, twenty-eight new pyrazole oxime compounds containing a substituted isoxazole ring were synthesized and evaluated for their acaricidaland insecticidal activities. Bioassays exhibited that some target compounds indicated good acaricidal and insecticidal activities against Tetranychus cinnabarinus, Aphis medicaginis, Mythimna separata, and Nilaparvata lugens. Especially, compounds 9c, 9h, 9u, and 9v showed 100.00%, 90.56%, 90.78%, and 90.62% insecticidal activities against A. medicaginis at the concentration of 20 μg/mL, respectively, compounds 9k and 9u had 70.86% and 100.00% insecticidal activities against M. separata at 20 μg/mL, respectively.

Pyrazole derivatives as inhibitors of arachidonic acid-induced platelet aggregation

Antiplatelet drugs are promising therapeutics to intervene with platelet aggregation in arterial thrombosis, most prominently in myocardial infarction and ischemic stroke. Here, we describe the synthesis and structure-activity relationships of potent inhibitors of platelet aggregation based on the 1,5-diarylpyrazol-3-carboxamide scaffold. Analogs from this series demonstrated potent anti-aggregatory activities against arachidonic acid-induced platelet aggregation, as measured by turbidimetric method of Born. 1,5-Diarylpyrazole-3- carboxamides obtained with small-basic amines (7, 8, 50, 51, 61, 62) displayed the strongest activity with IC50 values in low nanomolar range (5.7-83 nM). On the basis of their high potency in cellular environment, these straightforward pyrazole derivatives may possess potential in the design of more potent compounds for intervention with cardiovascular diseases.

Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors

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Pyrazole substituted hydroxamic acid derivatives as cyclooxxgenase-2 and 5- lipoxygenase inhibitors

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Substituted pyrazolyl benzenesulfonamides for use in veterinary therapies

A method of using pyrazolyl benzenesulfonamide compounds in treating inflammation and inflammation-related disorders in companion animals is disclosed.

Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation

A class of pyrazolyl benzenesulfonamide compounds is described for use in treating inflammation and inflammation-related disorders. Compounds of particular interest are defined by Formula II: STR1 or a pharmaceutically-acceptable salt thereof.