631-31-2

Basic information

• Product Name: 1-ETHYL-1-METHYLSUCCINIC ACID
• Synonyms: 1-ETHYL-1-METHYLSUCCINIC ACID;2-ETHYL-2-METHYLSUCCINIC ACID;2-ETHYL-2-METHYLBUTANE-1-4-DIOIC ACID;A-ETHYL-A-METHYL SUCCINIC ACID;SALOR-INT L308722-1EA;alpha-Ethyl-alpha-methylsuccinicacid;2-ETHYL-2-METHYLBUTANEDIOIC ACID;2-Methyl-2-ethylsuccinic acid
• CAS NO: 631-31-2
• Molecular Formula: C₇H₁₂O₄
• Molecular Weight: 160.17
• EINECS: 211-154-5
• Mol File: 631-31-2.mol
• Article Data: 2

Chemical Properties

• Melting Point: 64.6-65.4 °C
• Boiling Point: 257.8 °C at 760 mmHg
• Flash Point: 124 °C
• Appearance: /
• Density: 1.2 g/cm³
• Vapor Pressure: 0.00431mmHg at 25°C
• Refractive Index: 1.475
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 3.83±0.15(Predicted)
• Stability: Hygroscopic
• CAS DataBase Reference: 1-ETHYL-1-METHYLSUCCINIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1-ETHYL-1-METHYLSUCCINIC ACID(631-31-2)
• EPA Substance Registry System: 1-ETHYL-1-METHYLSUCCINIC ACID(631-31-2)

Safety Data

• Hazardous Substances Data: 631-31-2(Hazardous Substances Data)

Usage

Uses

2-Ethyl-2-methylsuccinic Acid is an inhibitor of plasmid-borne IMP-1 metallo-β-lactamase.

InChI:InChI=1/C7H12O4/c1-3-7(2,6(10)11)4-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)/t7-/m1/s1

Upstream product

• 2654-72-0 2,5-dihydroxy-3,6-dimethyl-1,4-benzoquinone 
• 4111-08-4 2-hydroxy-2-methyl-butyronitrile 
• 1795-47-7 2,3-dicyano-3-methyl-valeric acid ethyl ester 
• 64-19-7 acetic acid 
• 124-38-9 carbon dioxide 
• 78-79-5 isoprene 
• 7664-93-9 sulfuric acid 
• 861317-69-3 1-ethoxy-3-ethyl-3-methyl-cyclopropane-1,2-dicarboxylic acid 
• 872790-20-0 3-ethyl-3-methyl-4-oxo-valeric acid 
• 151-50-8 potassium cyanide 
• 18424-76-5 dimethyl malonate sodium salt 
• 3552-33-8 2-ethyl-3-methylmaleic anhydride 
• 50598-34-0 β-ethyl-β-methyl-γ-butyrolactone 
• 50598-33-9 2-ethyl-2-methylsuccinic anhydride 

Downstream Products

• 43010-64-6 Dimethyl (+/-)-2-ethyl-2-methylsuccinate 
• 1402547-06-1 C₁₈H₃₁N₃O₂ 
• 65116-39-4 1-(4-carboxyphenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione 
• 65116-35-0 1-(4-nitrophenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione 
• 1034317-10-6 C₁₃H₁₄Cl₂N₂O₂ 
• 1034317-07-1 1-(2-chlorophenylamino)-3-ethyl-3-methylpyrrolidine-2,5-dione 
• 1034317-11-7 C₁₃H₁₅BrN₂O₂ 
• 1034317-08-2 1-(3-chlorophenylamino)-3-ethyl-3-methylpyrrolidine-2,5-dione 
• 1034317-04-8 1-(2-methylphenylamino)-3-ethyl-3-methylpyrrolidine-2,5-dione 
• 1034317-05-9 1-(4-methylphenylamino)-3-ethyl-3-methylpyrrolidine-2,5-dione 

Relevant articles and documents

Synthesis, antimicrobial activity and quantum chemical investigation of novel succinimide derivatives

In the present study, twelve new 1-aryl-3-ethyl-3-methylpyrrolidine-2,5-diones were synthesized and their structures were characterized by FT-IR, 1H NMR, 13C NMR spectroscopy and elemental analysis. In the final step of synthetic rout, condensation between corresponding succinic acid and substituted anilines has been improved using the microwave irradiation. Significantly higher yields compared to conventional condensation have been observed. The preliminary biological results indicated that some of the synthesized compounds showed promising in vitro antifungal activities towards several test fungi. 1-(4-Bromophenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione (8) exhibited significant in vitro inhibitory activities against broad spectra of fungus, and on the basis of obtained data, the investigated bromo derivative has to be observed as novel potential fungicide. The density functional theory (DFT) calculations have been performed in order to study the structure-activity relationship (SAR) of the investigated molecules. In order to prediction of the chemical activity of the molecule, the molecular electrostatic potential (MEP) map was analyzed for the optimized geometry of 1-phenyl-3-ethyl-3-methylpyrrolidine-2,5-dione (4) and 1-(4-bromophenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione (8).