146-81-6

Basic information

• Product Name: 2-[4-(1,1-dimethylethyl)benzoyl]benzoic acid
• Synonyms: 2-[4-(1,1-dimethylethyl)benzoyl]benzoic acid;o-(p-tert-Butylbenzoyl)benzoic acid
• CAS NO: 146-81-6
• Molecular Formula: C₁₈H₁₈O₃
• Molecular Weight: 282.33372
• EINECS: 205-680-4
• Mol File: 146-81-6.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 462.7°Cat760mmHg
• Flash Point: 247.8°C
• Appearance: /
• Density: 1.144g/cm³
• Vapor Pressure: 2.32E-09mmHg at 25°C
• Refractive Index: 1.573
• CAS DataBase Reference: 2-[4-(1,1-dimethylethyl)benzoyl]benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[4-(1,1-dimethylethyl)benzoyl]benzoic acid(146-81-6)
• EPA Substance Registry System: 2-[4-(1,1-dimethylethyl)benzoyl]benzoic acid(146-81-6)

Safety Data

• Hazardous Substances Data: 146-81-6(Hazardous Substances Data)

Usage

General Description

2-[4-(1,1-dimethylethyl)benzoyl]benzoic acid is a chemical compound with the molecular formula C21H20O3. It is a derivative of benzoylbenzoic acid and is commonly used as a photoinitiator in polymer chemistry and photopolymerization. 2-[4-(1,1-dimethylethyl)benzoyl]benzoic acid is a white to off-white powder with a melting point of around 166-168°C. It has a molecular weight of 320.38 g/mol and is sparingly soluble in water but soluble in organic solvents such as acetone and methanol. It is also known by its trade names, such as Cyasorb 5411, Uvinul 3030, and Tinuvin 303. This chemical is used as a UV stabilizer in various applications, including coatings, adhesives, and plastics, to protect them from the harmful effects of UV radiation.

InChI:InChI=1/C18H18O3/c1-18(2,3)13-10-8-12(9-11-13)16(19)14-6-4-5-7-15(14)17(20)21/h4-11H,1-3H3,(H,20,21)

Upstream product

• 85-44-9 phthalic anhydride 
• 253185-03-4 tert-butylbenzene 
• 63488-10-8 4-tert-butylmagnesium bromide 

Downstream Products

• 32017-73-5 2-(4-tert-butyl-benzoyl)-benzoic acid methyl ester 
• 84-47-9 2-tert-butylanthraquinine 
• 22679-54-5 4-tert-butylbenzophenone 
• 854646-14-3 2-(4-tert-butyl-benzyl)-benzoic acid 
• 860696-08-8 2-(4-tert-butyl-2-nitro-benzoyl)-benzoic acid 
• 860696-44-2 2-(2-amino-4-tert-butyl-benzoyl)-benzoic acid 

Relevant articles and documents

Construction of an isoquinolinone framework from carboxylic-ester-directed umpolung ring opening of methylenecyclopropanes

An interesting type of reaction involving functionalized methylenecyclopropanes (MCPs) has been revealed. Here, a nucleophilic attack of an anionic species onto a partially polarity-reversed MCP was realized by treating a neighbouring carboxylic ester tethered to the MCP and amine with KHMDS to realize an umpolung ring opening of the MCP. This work established an operationally convenient protocol for the rapid construction of isoquinolinone frameworks. This journal is

Method for synthesizing 2-alkylanthraquinone

The invention discloses a method for synthesizing 2-alkylanthraquinone. The method comprises the following steps: preparing a tert-butylanthraquinone intermediate BE acid from phthalic anhydride and alkylbenzene in the presence of a Lewis acid, carrying out dehydration ring closure by adopting a combined dehydrating agent composed of polyphosphoric acid and phosphorus pentoxide, pouring the obtained solution into ice water after the end of the ring closure I order to dilute the polyphosphoric acid to a certain concentration, adding xylene for extraction after water precipitation is finished, washing and concentrating the obtained extract to obtain a brown yellow block solid, and recrystallizing the solid to obtain the 2-alkylanthraquinone. The method of the invention the advantages of avoiding of using of fuming sulfuric acid and production of a large amount of dilute sulfuric acid in the phthalic anhydride method production process of anthraquinone, easily available raw materials, mild reaction conditions, easiness in application in industrial production, realization of continuous using of the byproduct phosphoric acid as the dehydrating agent after addition of phosphorus pentoxide, and good environmental protection meaning.

Design and synthesis of novel antimicrobials with activity against Gram-positive bacteria and mycobacterial species, including M. tuberculosis

The alarming increase in bacterial resistance over the last decade along with a dramatic decrease in new treatments for infections has led to problems in the healthcare industry. Tuberculosis (TB) is caused mainly by Mycobacterium tuberculosis which is responsible for 1.4 million deaths per year. A world-wide threat with HIV co-infected with multi and extensively drug-resistant strains of TB has emerged. In this regard, herein, novel acrylic acid ethyl ester derivatives were synthesized in simple, efficient routes and evaluated as potential agents against several Mycobacterium species. These were synthesized via a stereospecific process for structure activity relationship (SAR) studies. Minimum inhibitory concentration (MIC) assays indicated that esters 12, 13, and 20 exhibited greater in vitro activity against Mycobacterium smegmatis than rifampin, one of the current, first-line anti-mycobacterial chemotherapeutic agents. Based on these studies the acrylic ester 20 has been developed as a potential lead compound which was found to have an MIC value of 0.4 μg/mL against Mycobacterium tuberculosis. The SAR and biological activity of this series is presented; a Michael-acceptor mechanism appears to be important for potent activity of this series of analogs.