58656-99-8

Basic information

• Product Name: TERT-BUTYL 3-NITROBENZOATE
• Synonyms: TERT-BUTYL 3-NITROBENZOATE;T-BUTYL 3-NITROBENZOATE;BUTTPARK 29\02-60;3-NITROBENZOIC ACID T-BUTYL ESTER;3-NITRO-BENZOIC ACID TERT-BUTYL ESTER;Benzoic acid, 3-nitro-, 1,1-diMethylethyl ester
• CAS NO: 58656-99-8
• Molecular Formula: C₁₁H₁₃NO₄
• Molecular Weight: 223.23
• Mol File: 58656-99-8.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 314.417 °C at 760 mmHg
• Flash Point: 130.242 °C
• Appearance: /
• Density: 1.183 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.531
• Storage Temp.: 2-8°C
• CAS DataBase Reference: TERT-BUTYL 3-NITROBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTYL 3-NITROBENZOATE(58656-99-8)
• EPA Substance Registry System: TERT-BUTYL 3-NITROBENZOATE(58656-99-8)

Safety Data

• Hazardous Substances Data: 58656-99-8(Hazardous Substances Data)

Usage

General Description

Tert-butyl 3-nitrobenzoate is a chemical compound with the molecular formula C13H15NO4. It is a yellow solid that is commonly used as a reagent in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. Tert-butyl 3-nitrobenzoate is known for its strong nitro group, making it reactive and useful in various chemical reactions. It is also used as a flavor and fragrance ingredient, particularly in the manufacturing of perfumes and other cosmetic products. Overall, tert-butyl 3-nitrobenzoate plays a significant role in the fields of chemistry, pharmaceuticals, and cosmetics due to its versatile properties and applications.

InChI:InChI=1/C11H13NO4/c1-11(2,3)16-10(13)8-5-4-6-9(7-8)12(14)15/h4-7H,1-3H3

Upstream product

• 121-90-4 m-nitrobenzoic acid chloride 
• 75-65-0 tert-butyl alcohol 
• 618-95-1 methyl 3-nitrobenzoate 
• 774-65-2 benzoic acid tert-butyl ester 
• 7697-37-2 nitric acid 
• 99-61-6 3-nitro-benzaldehyde 
• 24424-99-5 di-tert-butyl dicarbonate 
• 121-92-6 3-nitrobenzoic acid 
• 115-11-7 isobutene 

Downstream Products

• 92146-82-2 tert-butyl 3-aminobenzoate 
• 115-11-7 isobutene 
• 121-92-6 3-nitrobenzoic acid 
• 250684-64-1 3-nitroso-benzoic acid tert-butyl ester 
• 16307-94-1 3,3'-ureylene-di-benzoic acid 
• 1070977-74-0 1,3-bis(3-(4-(4-(pyrrolidin-1-yl)butanamido)phenylcarbamoyl)phenyl)urea 
• 1070977-80-8 1,3-bis(3-(3-(4-(pyrrolidin-1-yl)butanamido)phenylcarbamoyl)phenyl)urea 
• 1070978-56-1 1,3-bis(3-(4-(3-(piperidin-1-yl)propanamido)phenylcarbamoyl)phenyl)urea 
• 1070978-58-3 1,3-bis(3-(4-(3-(morpholino)propanamido)phenylcarbamoyl)phenyl)urea 
• 1070977-78-4 1,3-bis(3-(3-(3-(pyrrolidin-1-yl)propanamido)phenylcarbamoyl)phenyl)urea 
• 1070977-71-7 1,3-bis(3-(4-(3-(pyrrolidin-1-yl)propanamido)phenylcarbamoyl)phenyl)urea 
• 1070977-68-2 1,3-bis(3-(4-(2-(pyrrolidin-1-yl)acetamido)phenylcarbamoyl)phenyl)urea 
• 1070977-76-2 1,3-bis(3-(3-(2-(pyrrolidin-1-yl)acetamido)phenylcarbamoyl)phenyl)urea 
• 1070978-54-9 1,3-bis(3-(4-(3-(dimethylamino)propanamido)phenylcarbamoyl)phenyl)urea 

Relevant articles and documents

Innovative Multipodal Ligands Derived from Tr?ger's Bases for the Sensitization of Lanthanide(III) Luminescence

Herein, the synthesis and characterization of the first family of multipodal ligands with a Tr?ger's base framework designed for the preparation of luminescent lanthanide(III) complexes are reported. Eight ligands were designed and synthesized using diffe

NOVEL SINGLE STEP ESTERIFICATION PROCESS OF ALDEHYDES USING A HETEROGENEOUS CATALYST

The present invention relates to a novel simple, efficient and single-step process for esterification of aldehydes using a heterogeneous catalyst with high yields. More particularly, the present invention relates to a novel simple, efficient and single-step process for esterification of aldehydes using Titanium superoxide with greater than 80% yields.

Rational design of substituted diarylureas: A scaffold for binding to G-quadruplex motifs

The design and synthesis of a series of urea-based nonpolycyclic aromatic ligands with alkylaminoanilino side chains as telomeric and genomic G-quadruplex DNA interacting agents are described. Their interactions with quadruplexes have been examined by means of fluorescent resonance energy transfer melting, circular dichroism, and surface plasmon resonance-based assays. These validate the design concept for such urea-based ligands and also show that they have significant selectivity over duplex DNA, as well as for particular G-quadruplexes. The ligand-quadruplex complexes were investigated by computational molecular modeling, providing further information on structure-activity relationships. Preliminary biological studies using short-term cell growth inhibition assays show that some of the ligands have cancer cell selectivity, although they appear to have low potency for intracellular telomeric G-quadruplex structures, suggesting that their cellular targets may be other, possibly oncogene-related quadruplexes.