18720-35-9

Basic information

• Product Name: BICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLIC ACID HEMIMETHYL ESTER
• Synonyms: Bicyclo[2.2.2]octane-1,4-dicarboxylIic acid hemimethyl ester;Bicyclo [2.2.2]octane-1,4-dicarboxylic acid, 1-methyl ester;Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, monomethyl ester;4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-;1-Carboxy-4-(Methoxycarbonyl)bicyclo[2.2.2]octane;4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid, >=98%;4-(Methoxycarbonyl)bicyclo[2.2.2]octan-1-carboxylic Acid;BICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLIC ACID HEMIMETHYL ESTER
• CAS NO: 18720-35-9
• Molecular Formula: C₁₁H₁₆O₄
• Molecular Weight: 212.24
• EINECS: 1308068-626-2
• Product Categories: Carboxylic Acids;Carboxylic Acids;Fused Ring Systems
• Mol File: 18720-35-9.mol

Chemical Properties

• Melting Point: 186.0 to 190.0 °C
• Boiling Point: 322.473 °C at 760 mmHg
• Flash Point: 122.436 °C
• Appearance: /
• Density: 1.307 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.551
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 4.77±0.10(Predicted)
• CAS DataBase Reference: BICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLIC ACID HEMIMETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: BICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLIC ACID HEMIMETHYL ESTER(18720-35-9)
• EPA Substance Registry System: BICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLIC ACID HEMIMETHYL ESTER(18720-35-9)

Safety Data

• Hazard Codes: T
• Statements: 25-36
• Safety Statements: 26-45
• RIDADR: UN 2811 6.1 / PGIII
• WGK Germany: 3
• Hazardous Substances Data: 18720-35-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
BICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLIC ACID HEMIMETHYL ESTER is used as a reactant for the preparation of bicyclo-octyltriazole inhibitors of HSD1. These inhibitors are crucial for the treatment of metabolic syndrome, a cluster of conditions that increase the risk of heart disease, stroke, and type 2 diabetes.
Used in Chemical Synthesis:
BICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLIC ACID HEMIMETHYL ESTER can be utilized as an intermediate in the synthesis of various complex organic molecules, contributing to the development of new compounds with potential applications in different fields, such as pharmaceuticals, materials science, and agrochemicals.
Used in Research and Development:
Due to its unique structure and properties, BICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLIC ACID HEMIMETHYL ESTER can be employed in research and development for exploring new chemical reactions, understanding reaction mechanisms, and discovering novel applications in various industries.

InChI:InChI=1/C11H16O4/c1-15-9(14)11-5-2-10(3-6-11,4-7-11)8(12)13/h2-7H2,1H3,(H,12,13)

Upstream product

• 23062-52-4 methyl 4-phenylbicyclo<2.2.2>octane-1-carboxylate 
• 106004-06-2 dimethyl 1-(2'-chloroethyl)cyclohexane-1,4-dicarboxylate 
• 619-81-8 cyclohexane-1,4-dicarboxylic acid 
• 1659-96-7 1,4-dibromo-trans-cyclohexane-1,4-dicarboxylic acid dimethyl ester 
• 100-21-0 terephthalic acid 
• 1659-67-2 dimethyl bicyclo[2.2.2]oct-2-ene-1,4-dicarboxylate 
• 1659-95-6 dimethyl 1,3-cyclohexadiene-1,4-dicarboxylate 
• 953-69-5 4-phenylbicyclo<2.2.2>octane-1-carboxylic acid 
• 174685-35-9 dimethyl 1'H,4'H-dispiro[1,3-dithiolane-2,2'-bicyclo[2.2.2]octane-5',2''-[1,3]dithiolane]-1',4'-dicarboxylate 
• 6289-46-9 dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate 
• 57293-62-6 dimethyl 1,4-dioxobicyclo<2.2.2>octane-2,5-dicarboxylate 
• 94-60-0 dimethyl 1,4-cyclohexane dicarboxylate 
• 1459-96-7 dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate 

Downstream Products

• 1246852-78-7 C₂₆H₃₅BrN₂O₄ 
• 828-52-4 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid 

Relevant articles and documents

Bicyclo [2.2.2] octane - 1, 4 - dicarboxylic acid mono methyl ester synthesis method

The invention relates to a synthetic method of an organic compound. The synthetic method of bicyclo-[2.2.2]octane-1,4-dicarboxylic acid monomethyl easter is as follows: firstly, adopting sodium hydride, DMSS and 1,2-dibromoethane to synthesize the intermediate I; secondly, adopting the intermediate I, sodium acetate, ammourea hydrochloride and alcohol to synthesize semicarbazon; thirdly, adopting potassium hydroxide, diethylene glycol and semicarbazon to synthesize target diacid; fourthly, adopting target diacid, thionyl chloride and methanol to synthesize target diester; and fifthly, adopting target diester, potassium hydroxide and 95% of methanol water solution to synthesize the target product monoester. The invention has reasonable synthetic process route, mild process conditions, environment friendly, easy operation, low raw material cost, high product yield and excellent purity, and is applicable to industrial production and satisfies the application requirement of each industry.

POLYMERIZABLE COMPOUND AND OPTICAL ANISOTROPIC BODY

PROBLEM TO BE SOLVED: To provide a polymerizable composition that causes few orientation defects when added to a polymerizable composition and making a film-like polymer, and is resistant to discoloration when put in a high temperature condition. SOLUTION: The present invention provides a compound illustrated by the formula (I-6), a polymerizable composition containing the compound, a polymer obtained by the polymerization of the composition, and an optical anisotropic body prepared with the polymer. SELECTED DRAWING: None COPYRIGHT: (C)2018,JPO&INPIT

Substituted pyrazolo-piperazines as casein kinase 1 δ/ε inhibitors

The invention provides compounds of Formula (I): and pharmaceutically acceptable salts thereof. The compounds of Formula (I) inhibit protein kinase activity thereby making them useful as anticancer agents.

Design and synthesis of novel 19F-amino acid: A promising 19F NMR label for peptide studies

Novel aliphatic 19F-substituted amino acid was designed as a 19F NMR label for peptide studies. The synthesis was performed in 11 steps and 9% overall yield from a commercially available starting material. The key transformation was a decarboxylative fluorination of an aliphatic carboxylic acid with XeF2 in C6F6.

COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS

The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

Discovery of functionalized bisimidazoles bearing cyclic aliphatic-phenyl motifs as HCV NS5A inhibitors

This Letter describes the discovery of a number of functionalized bisimidazoles bearing a cyclohexylphenyl, piperidylphenyl, or bicyclo[2,2,2]octylphenyl motif as HCV NS5A inhibitors. Compounds 2c, 4b and 6 have demonstrated low single-digit nM potency in gt-1a replicon and double-digit pM potency in gt-1b replicon, respectively. Moreover, both 4b and 6 have, respectively, exhibited good oral bioavailability in rats with a favorable liver/plasma ratio of the drug concentration.

BICYCLO [2.2.2] ACID GPR120 MODULATORS

The present invention provides compounds of Formula (I) or a stereoisomer, or a pharmaceutically acceptable salt thereof, wherein all of the variables are as defined herein. These compounds are GPR120 G protein-coupled receptor modulators which may be use

SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS

Provided is a compound represented by the following formula (1) or a salt thereof, which has an SSTR5 antagonistic action: wherein each symbol has the same definition as in the specification.

BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS

Novel bridged bicyclic compounds are disclosed herein, along with their pharmaceutically acceptable salts, hydrates and prodrugs. Also disclosed are compositions comprising such compounds, methods of preparing such compounds and methods of using such compounds as antibacterial agents. The disclosed compounds, their pharmaceutically acceptable salts, hydrates and prodrugs, as well as compositions comprising such compounds, salts, hydrates and prodrugs, are useful for treating bacterial infections and associated diseases and conditions.

SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH

Provided herein are Diaminopyrimidine Compounds having the following structures: wherein R1, R2, R3, and R4 are as defined herein, compositions comprising an effective amount of a Diaminopyrimidine Compound, and methods for treating or preventing liver fibrotic disorders or a condition treatable or preventable by inhibition of a JNK pathway.