116412-95-4

Basic information

• Product Name: 4-TERT-BUTYL-3',4'-DIMETHOXYBENZOPHENONE
• Synonyms: 4-TERT-BUTYL-3',4'-DIMETHOXYBENZOPHENONE;OTAVA-BB 1044080
• CAS NO: 116412-95-4
• Molecular Formula: C₁₉H₂₂O₃
• Molecular Weight: 298.39
• Mol File: 116412-95-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 424.1°C at 760 mmHg
• Flash Point: 202.1°C
• Appearance: /
• Density: 1.057g/cm³
• Vapor Pressure: 2.12E-07mmHg at 25°C
• Refractive Index: 1.534
• CAS DataBase Reference: 4-TERT-BUTYL-3',4'-DIMETHOXYBENZOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-TERT-BUTYL-3',4'-DIMETHOXYBENZOPHENONE(116412-95-4)
• EPA Substance Registry System: 4-TERT-BUTYL-3',4'-DIMETHOXYBENZOPHENONE(116412-95-4)

Safety Data

• Hazardous Substances Data: 116412-95-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C19H22O3/c1-19(2,3)15-9-6-13(7-10-15)18(20)14-8-11-16(21-4)17(12-14)22-5/h6-12H,1-5H3

Upstream product

• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 
• 15235-32-2 4-(tert-butyl)-N,N-dimethylbenzamide 
• 91-16-7 1,2-dimethoxybenzene 
• 1710-98-1 p-tert-butyl benzoyl chloride 

Downstream Products

• 1019396-12-3 C₁₉H₂₅NO₂ 
• 1496524-41-4 isopropyl((2S)-1-(((3,4-dimethoxylphenyl)(4-(tert-butyl)phenyl)methyl)amino)-3-methyl-1-oxobutan-2-yl)carbamate 
• 1620077-25-9 C₁₉H₂₃NO₃ 

Relevant articles and documents

The Halogen–Samarium Exchange Reaction: Synthetic Applications and Kinetics

Fast I/Sm and Br/Sm exchanges take place when various aromatic or heterocyclic iodides and bromides are treated with nBu2SmCl?4 LiCl and nBu3Sm?5 LiCl, respectively. The resulting organosamarium reagents were efficiently quenched with aldehydes, ketones, and imines. Also, they undergo acylations when treated with N,N-dimethylamides leading to ketones. The rate of the Br/Sm exchange for a typical aryl bromide was determined and found to be 8.5×105 faster than the Br/Mg exchange, indicating that the rate of a metal-exchange is related to the ionic character of the carbon–metal bond and to the metal electronegativity.

Design, synthesis, and fungicidal activity of novel carboxylic acid amides represented by N-benzhydryl valinamode carbamates

Carboxylic acid amide (CAA) fungicides are an important class of agricultural fungicide with oomycete activity and low toxicity toward mammalian cells. To find CAA analogues with high activity against resistant pathogens, a series of substituted N-benzhydryl valinamide carbamate derivatives were designed and synthesized by introducing substituted aromatic rings into valinamide carbamate leads. Bioassays showed that some title compounds exhibited very good in vitro fungicidal activity against Phytophthora capsici and in vivo fungicidal activities against Pseudoperonospora cubensis. Topomer CoMFA was performed to explore the structure-activity relationship on the basis of the in vitro data. The dimethoxy substituted aromatic analogue 9e was found to display higher in vitro fungicidal activity against Phytophthora capsici than iprovalicarb but lower activity than mandipropamid, and higher in vivo fungicidal activity against Pseudoperonospora cubensis than dimethomorph at a dosage of 6.25 μg mL-1. This journal is the Partner Organisations 2014.