19406-00-9

Basic information

• Product Name: 3-FURANCARBOXYLIC ACID, TETRAHYDRO-2-OXO-, METHYL ESTER
• Synonyms: 3-FURANCARBOXYLIC ACID, TETRAHYDRO-2-OXO-, METHYL ESTER;Methyl 2-oxotetrahydrofuran-3-carboxylate
• CAS NO: 19406-00-9
• Molecular Formula: C6H8O4
• Molecular Weight: 144.125
• Mol File: 19406-00-9.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 266.1°C at 760 mmHg
• Flash Point: 138.5°C
• Appearance: /
• Density: 1.265g/cm³
• Vapor Pressure: 0.00882mmHg at 25°C
• Refractive Index: 1.459
• Storage Temp.: 2-8°C
• PKA: 13.12±0.20(Predicted)
• CAS DataBase Reference: 3-FURANCARBOXYLIC ACID, TETRAHYDRO-2-OXO-, METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-FURANCARBOXYLIC ACID, TETRAHYDRO-2-OXO-, METHYL ESTER(19406-00-9)
• EPA Substance Registry System: 3-FURANCARBOXYLIC ACID, TETRAHYDRO-2-OXO-, METHYL ESTER(19406-00-9)

Safety Data

• Hazardous Substances Data: 19406-00-9(Hazardous Substances Data)

Usage

General Description

3-Furancarboxylic Acid, Tetrahydro-2-oxo-, Methyl Ester is a chemical compound informally known as methyl 2-oxotetrahydrofuran-3-carboxylate. It typically appears as a clear or slightly yellow liquid and can be used for various scientific and industrial applications. Its molecular structure consists of a furan ring, a five-membered ring containing oxygen, with a methyl ester group and a carboxylic acid group. This chemical can be synthesized in a laboratory and should be managed with caution due to its potential reactivity and hazard level. Furthermore, its specific physical/chemical properties, toxicity, and environmental impacts need to be investigated according to standardized testing guidelines.

InChI:InChI=1/C6H8O4/c1-9-5(7)4-2-3-10-6(4)8/h4H,2-3H2,1H3

Upstream product

• 6914-71-2 dimethyl 1,1-cyclopropanedicarboxylate 
• 598-10-7 cyclopropane-1,1-dicarboxylic acid 
• 74-88-4 methyl iodide 
• 96-48-0 4-butanolide 
• 4525-33-1 dimethyl dicarbonate 
• 67-56-1 methanol 
• 108-59-8 malonic acid dimethyl ester 
• 616-38-6 carbonic acid dimethyl ester 
• 107-31-3 Methyl formate 

Downstream Products

• 1007206-27-0 4-[4,6-dichloro-5-(2-chloroethyl)-pyrimidin-2-yl]-morpholine 
• 1178564-19-6 1-[4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholino-5,6-dihydro-pyrrolo[2,3-d]pyrimidin-7-yl]ethanone 
• 1007215-41-9 4-[4-chloro-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine 
• 1007215-39-5 6-chloro-5-(2-chloroethyl)-N-[(4-methoxyphenyl)methyl]-2-morpholinopyrimidin-4-amine 
• 1007208-62-9 [3-[4-(2-aminopyrimidin-5-yl)-2-morpholino-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-(4-methylpiperazin-1-yl)methanone 
• 1007207-65-9 N,N-bis[(4-methoxyphenyl)methyl]-5-(2-morpholino-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine 
• 1007208-67-4 5-(2-morpholino-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine 
• 1007210-13-0 [4-(4-{2-[bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidin-7-yl)-phenyl]-(4-methyl-piperazin-1-yl)-methanone 
• 1007208-40-3 [4-[4-(2-aminopyrimidin-5-yl)-2-morpholino-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-(4-methylpiperazin-1-yl)methanone 
• 1007209-85-9 5-[2-morpholino-7-[4-(morpholinomethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine 

Relevant articles and documents

BICYCLIC HETEROARENES AND METHODS OF THEIR USE

Disclosed are compounds useful in the treatment of neurological disorders. The compounds described herein, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological diseases.

Pyrrolidines and Piperidines by Ligand-Enabled Aza-Heck Cyclizations and Cascades of N-(Pentafluorobenzoyloxy)carbamates

Ligand-enabled aza-Heck cyclizations and cascades of N-(pentafluorobenzoyloxy)carbamates are described. These studies encompass the first examples of efficient non-biased 6-exo aza-Heck cyclizations. The methodology provides direct and flexible access to carbamate protected pyrrolidines and piperidines.

Lead optimization of a dihydropyrrolopyrimidine inhibitor against phosphoinositide 3-kinase (PI3K) to improve the phenol glucuronic acid conjugation

Our lead compound for a phosphoinositide 3-kinase (PI3K) inhibitor (1) was metabolically unstable because of rapid glucuronidation of the phenol moiety. Based on structure-activity relationship (SAR) information and a FlexSIS docking simulation score, aminopyrimidine was identified as a bioisostere of phenol. An X-ray structure study revealed a hydrogen bonding pattern of aminopyrimidine derivatives. Finally, aminopyrimidine derivatives 33 showed strong tumor growth inhibition against a KPL-4 breast cancer xenograft model in vivo.