38120-06-8

Basic information

• Product Name: isopentyl 4-nitrobenzoate
• Synonyms: isopentyl 4-nitrobenzoate;4-Nitrobenzoic acid isopentyl ester;3-Methylbutyl 4-Nitrobenzoate
• CAS NO: 38120-06-8
• Molecular Formula: C₁₂H₁₅NO₄
• Molecular Weight: 237.2518
• EINECS: 253-788-5
• Product Categories: Aromatics, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 38120-06-8.mol

Chemical Properties

• Boiling Point: 348.8°Cat760mmHg
• Flash Point: 145.1°C
• Appearance: /
• Density: 1.154g/cm³
• Vapor Pressure: 4.9E-05mmHg at 25°C
• Refractive Index: 1.525
• CAS DataBase Reference: isopentyl 4-nitrobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: isopentyl 4-nitrobenzoate(38120-06-8)
• EPA Substance Registry System: isopentyl 4-nitrobenzoate(38120-06-8)

Safety Data

• Hazardous Substances Data: 38120-06-8(Hazardous Substances Data)

Usage

Uses

Used in Pest Control Applications:
Isopentyl 4-nitrobenzoate is used as a larvicide for controlling the population of insects in various settings. Its larvicidal activity makes it a valuable tool in integrated pest management strategies, particularly in agricultural and public health contexts.
Used in Chemical Synthesis:
Isopentyl 4-nitrobenzoate is used as an intermediate in the synthesis of various organic compounds. Specifically, it is utilized in the production of 3-Fluoro-3-methylbutan-1-ol (F593630), which has potential applications in the pharmaceutical and chemical industries.
Used in Pharmaceutical Industry:
Although not explicitly mentioned in the provided materials, given its structural similarity to other nitrobenzoate compounds with known pharmaceutical applications, isopentyl 4-nitrobenzoate may also have potential uses in the development of new drugs or drug candidates, particularly in the areas of anti-inflammatory, analgesic, or antipyretic medications. Further research would be required to explore these possibilities.

InChI:InChI=1/C12H15NO4/c1-9(2)7-8-17-12(14)10-3-5-11(6-4-10)13(15)16/h3-6,9H,7-8H2,1-2H3

Upstream product

• 123-51-3 i-Amyl alcohol 
• 122-04-3 4-nitro-benzoyl chloride 
• 555-16-8 4-nitrobenzaldehdye 
• 619-80-7 4-nitrobenzamide 

Downstream Products

• 38120-10-4 isopentyl 4-aminobenzoate 
• 77894-24-7 3-fluoro-3-methylbutyl 4-nitrobenzoate 

Relevant articles and documents

Br?nsted Acid Mediated Nucleophilic Functionalization of Amides through Stable Amide C?N Bond Cleavage; One-Step Synthesis of 2-Substituted Benzothiazoles

We have developed a Br?nsted acid mediated synthetic method to directly cleave stable amide C?N bonds by a variety of alcohol and amine nucleophiles. Reverse reactivity was observed and alcoholysis of amides by activated primary and secondary benzylic, and propargylic alcohols have been achieved instead of the expected nucleophilic substitution of alcohols. As an application, 2-substituted benzothiazole derivatives have been synthesized in one pot employing 2-aminothiophenol as nucleophile.

Metal-free aerobic oxidative esterification of aromatic aldehydes promoted by potassium fluoride (KF)

We investigated the oxidative esterification of aldehydes with alcohols/phenols to produce a range of esters. In this approach, we conducted the reaction under metal-free conditions at room temperature. The reactions were promoted by potassium fluoride (KF) as the additive, resulting in the desired product in good to high yields. This procedure was found to be effective for the production of aryl esters, which are challenging in most of the available reports. It is vital for this procedure not to exclude air as the source of oxygen.

Single-step conversion of electron-deficient aldehydes into the corresponding esters in aqueous alcohols in the presence of iodine and sodium nitrite

The direct conversion of aldehydes into their corresponding esters in the presence of iodine and sodium nitrite in aqueous alcohols is reported. In all these reactions, alcohol serves as reactant and also as reaction medium. Almost quantitative yields were obtained with aldehydes containing electron-withdrawing substituents and heterocyclic aldehydes. Georg Thieme Verlag Stuttgart.

EFFECTS OF BRANCHING OF THE ALKYL CHAIN ON THE LIQUID CRYSTALLINE PROPERTIES OF N-(p-PHENYLBENZYLIDENE)-p-ALKOXYCARBONYLANILINES.

The liquid crystal behavior of twenty-three N-(p-phenylbenzylidene)-p-alkoxycarbonylanilines has been examined by optical microscopy and differential scanning calorimetry in order to study the effects of branching of the alkyl groups.