94430-86-1

Basic information

• Product Name: DIETHYL 2,4,6-TRIMETHYLPHENYL MALONATE
• Synonyms: DIETHYL 2,4,6-TRIMETHYLPHENYL MALONATE;2-(2,4,6-Trimethylphenyl)-malonic acid diethylester;diethyl 2-(2,4,6-trimethylphenyl)propanedioate
• CAS NO: 94430-86-1
• Molecular Formula: C₁₆H₂₂O₄
• Molecular Weight: 278.34348
• Mol File: 94430-86-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: 46-47 °C
• Boiling Point: 358.2°Cat760mmHg
• Flash Point: 170.1°C
• Appearance: /
• Density: 1.065g/cm³
• PKA: 12.24±0.46(Predicted)
• CAS DataBase Reference: DIETHYL 2,4,6-TRIMETHYLPHENYL MALONATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIETHYL 2,4,6-TRIMETHYLPHENYL MALONATE(94430-86-1)
• EPA Substance Registry System: DIETHYL 2,4,6-TRIMETHYLPHENYL MALONATE(94430-86-1)

Safety Data

• Hazardous Substances Data: 94430-86-1(Hazardous Substances Data)

Upstream product

• 5460-08-2 ethyl 2,4,6-trimethylphenylacetate 
• 95-92-1 oxalic acid diethyl ester 
• 34688-71-6 mesitylacetonitrile 
• 4408-60-0 2-mesitylacetic acid 
• 4028-63-1 iodomesitylene 
• 105-53-3 diethyl malonate 
• 1667-04-5 2-bromomesitylene 
• 392-69-8 1-fluoro-2,4,6-trimethylbenzene 
• 108-67-8 1,3,5-trimethyl-benzene 
• 1585-16-6 2-chloromethyl-1,3,5-trimethylbenzene 

Downstream Products

• 1176272-50-6 6-methoxy-2-(2,4,6-trimethylphenyl)tetrahydropyrazolo[1,2-a]pyrazole-1,3-dione 
• 314020-42-3 8-(2,4,6-trimethylphenyl)hexahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione 
• 1176272-67-5 8-(2,4,6-trimethylphenyl)hexahydropyrazolo[1,2-d][1,4,5]thiadiazepine-7,9-dione 
• 1176272-68-6 3,3-dioxo-8-(2,4,6-trimethylphenyl)hexahydro-3λ6-pyrazolo[1,2-d][1,4,5]thiadiazepine-7,9-dione 
• 1176272-73-3 1-(2-hydroxyethyl)-4-(2,4,6-trimethylphenyl)pyrazolidine-3,5-dione 
• 1176272-74-4 1-(3-hydroxypropyl)-4-(2,4,6-trimethylphenyl)pyrazolidine-3,5-dione 
• 1416807-70-9 3-methoxy-8-(2,4,6-trimethylphenyl)tetrahydropyrazolo[1,2-a][1,2,5]triazepine-7,9-dione 
• 1416807-63-0 carbonic acid ethyl ester 3-methoxy-9-oxo-8-(2,4,6-trimethyl-phenyl)-2,3,4,5-tetrahydro-1H,9H-pyrazolo[1,2-a][1,2,5]triazepin-7-yl ester 

Relevant articles and documents

Aryldiones incorporating a [1,4,5]oxadiazepane ring. Part I: Discovery of the novel cereal herbicide pinoxaden

Derivatives of the new class of 3-hydroxy-4-phenyl-5-oxo-pyrazolines were optimized towards both herbicidal activity on key annual grass weed species and selectivity in small grain cereal crops. The generic structure can be separated into three parts for the analysis of the structure-activity relationships, namely the aryl, the dione with its prodrug forms and the hydrazine moiety. Each area appears to play distinct and different roles in overall expression of biological performance which is further beneficially influenced by adjuvant response and safener action. Pinoxaden 6, a novel graminicide for use in wheat and barley incorporating a [1,4,5]oxadiazepane ring, eventually emerged as a development candidate from the discovery and optimization process.