5452-73-3

Basic information

• Product Name: methyl 2-oxocyclooctane-1-carboxylate
• Synonyms: methyl 2-oxocyclooctane-1-carboxylate;Cyclooctanecarboxylic acid, 2-oxo-, Methyl ester;Methyl 2-oxocyclooctanecarboxylate
• CAS NO: 5452-73-3
• Molecular Formula: C₁₀H₁₆O₃
• Molecular Weight: 0
• Mol File: 5452-73-3.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 270.9°Cat760mmHg
• Flash Point: 114.7°C
• Appearance: /
• Density: 1.046g/cm³
• Vapor Pressure: 0.00665mmHg at 25°C
• Refractive Index: 1.457
• CAS DataBase Reference: methyl 2-oxocyclooctane-1-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 2-oxocyclooctane-1-carboxylate(5452-73-3)
• EPA Substance Registry System: methyl 2-oxocyclooctane-1-carboxylate(5452-73-3)

Safety Data

• Hazardous Substances Data: 5452-73-3(Hazardous Substances Data)

Usage

General Description

Methyl 2-oxocyclooctane-1-carboxylate is a chemical compound with the molecular formula C9H14O3. It is a colorless, flammable liquid with a fruity odor, commonly used as a flavor and fragrance ingredient in the food and cosmetics industries. methyl 2-oxocyclooctane-1-carboxylate is also utilized in the production of pharmaceuticals and agrochemicals. Methyl 2-oxocyclooctane-1-carboxylate is known for its high stability and solubility in organic solvents. It is important to handle this compound with caution, as it may cause irritation to the skin and eyes upon contact.

InChI:InChI=1/C10H16O3/c1-13-10(12)8-6-4-2-3-5-7-9(8)11/h8H,2-7H2,1H3

Upstream product

• 64670-08-2 Methyl-9-bromo-3-oxononanoat 
• 67-56-1 methanol 
• 56-23-5 tetrachloromethane 
• 1732-10-1 Dimethyl azelate 
• 154184-58-4 methyl 2-oxobicyclo<5.1.0>octane-1-carboxylate 
• 502-49-8 cycloactanone 
• 616-38-6 carbonic acid dimethyl ester 
• 17640-15-2 methyl cyanoformate 
• 292-64-8 Cyclooctan 
• 105-45-3 acetoacetic acid methyl ester 
• 111-24-0 1,5-dibromo-pentane 
• 52784-36-8 methyl 7-oxo-1-cycloheptene-1-carboxylate 
• 186581-53-3 diazomethane 
• 124-38-9 carbon dioxide 

Downstream Products

• 1699-19-0 5,6,7,8,9,10-Hexahydro-cyclooctapyrimidine-2,4-diol 
• 1227407-69-3 C₁₅H₁₀F₆O₂ 
• 1611446-90-2 C₁₆H₁₉N₃O₃ 
• 1240791-65-4 N-benzyl-2-oxo-N-(penta-3,4-dien-1-yl)cyclooctanecarboxamide 
• 696660-53-4 methyl 2-(2-bromophenylamino)cyclooct-1-enecarboxylate 
• 696660-56-7 methyl 2-(2-iodophenylamino)cyclooct-1-enecarboxylate 
• 130409-63-1 1-(benzoyloxy)-2-methylcyclooctene 
• 142285-31-2 (2S^*,9S^*)-2-(3,5-dinitrobenzoyloxymethyl)-9-pentyloxonane 
• 142285-31-2 (2S^*,9R^*)-2-(3,5-dinitrobenzoyloxymethyl)-9-pentyloxonane 
• 74821-66-2 dimethyl 6,7,8,9,10,11-hexahydro-3-hydroxy-2-phenyl-2H-cyclodecapyrazole-4,5-dicarboxylate 
• 112211-70-8 2-(1-carbomethoxy-2-phenylethyl)cycloheptanone 
• 112818-05-0 methyl 1-benzyl-2-oxocyclooctane-1-carboxylate 

Relevant articles and documents

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Discovery of a new class of valosine containing protein (VCP/P97) inhibitors for the treatment of non-small cell lung cancer

Valosine containing protein (VCP/p97) is a member of the AAA ATPase family involved in several essential cellular functions and plays an important role in the ubiquitin-mediated degradation of misfolded proteins. P97 has a significant role in maintaining the cellular protein homeostasis for tumor cell growth and survival and has been found overexpressed in many tumor types. No new molecule entities based on p97 target were approved in clinic. Herein, a series of novel pyrimidine structures as p97 inhibitors were designed and synthesized. After enzymatic evaluations, structure-activity relationships (SAR) were discussed in detailed. Among the screened compounds, derivative 35 showed excellent enzymatic inhibitory activity (IC50, 36 nM). The cellular inhibition results showed that compound 35 had good antiproliferative activity against the non-small cell lung cancer A549 cells (IC50, 1.61 μM). Liver microsome stability showed that the half-life of compound 35 in human liver microsome was 42.3 min, which was more stable than the control CB-5083 (25.8 min). The in vivo pharmacokinetic results showed that the elimination phase half-lives of compound 35 were 4.57 h for ig and 3.64 h for iv, respectively and the oral bioavailability was only 4.5%. These results indicated that compound 35 could be effective for intravenous treatment of non-small cell lung cancer.

Promoting reductive tandem reactions of nitrostyrenes with Mo(CO)6 and a palladium catalyst to produce 3 h -indoles

The combination of Mo(CO)6 and 10 mol % of palladium acetate catalyzes the transformation of 2-nitroarenes to 3H-indoles through a tandem cyclization-[1,2] shift reaction of in situ generated nitrosoarenes. Mo(CO)6 appears to have dual roles in this transformation: generate CO and promote C-N bond formation to increase the yield of the N-heterocycle product.