579514-75-3

Basic information

• Product Name: Benzoic acid, 4-fluoro-3-nitro-, 1,1-diMethylethyl ester
• Synonyms: Benzoic acid, 4-fluoro-3-nitro-, 1,1-diMethylethyl ester;TERT-BUTYL 4-FLUORO-3-NITROBENZOATE
• CAS NO: 579514-75-3
• Molecular Formula: C₁₁H₁₂FNO₄
• Molecular Weight: 241.2156832
• Mol File: 579514-75-3.mol
• Article Data: 12

Chemical Properties

• Appearance: /
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: Benzoic acid, 4-fluoro-3-nitro-, 1,1-diMethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-fluoro-3-nitro-, 1,1-diMethylethyl ester(579514-75-3)
• EPA Substance Registry System: Benzoic acid, 4-fluoro-3-nitro-, 1,1-diMethylethyl ester(579514-75-3)

Safety Data

• Hazardous Substances Data: 579514-75-3(Hazardous Substances Data)

Usage

General Description

Benzoic acid, 4-fluoro-3-nitro-, 1,1-dimethylethyl ester is a synthetic compound that is used as a chemical intermediate in the production of pharmaceuticals and chemical products. It is a ester derivative of benzoic acid, containing a 4-fluoro-3-nitro substituent. Benzoic acid, 4-fluoro-3-nitro-, 1,1-dimethylethyl ester is commonly used in the pharmaceutical industry for the synthesis of various drugs and medications. It is also used as a reagent in organic chemistry and as a building block for the synthesis of more complex molecules. Additionally, it has potential applications in the field of crop protection and pest control due to its chemical properties. However, it is important to handle this compound with care and follow proper safety protocols due to its potential hazards.

Upstream product

• 453-71-4 3-nitro-4-fluorobenzoic acid 
• 115-11-7 isobutene 
• 1694-31-1 tert-butyl acetoacetate 
• 75-65-0 tert-butyl alcohol 
• 36805-97-7 N,N-dimethylformamide di-tert-butyl acetal 
• 24424-99-5 di-tert-butyl dicarbonate 
• 98946-18-0 tert-Butyl 2,2,2-trichloroacetimidate 

Downstream Products

• 579514-76-4 4-(cyclopropylamino)-3-nitrobenzoic acid tert-butyl ester 
• 1012060-12-6 tert-butyl 3-nitro-4-(piperazin-1-yl)benzoate 
• 1202890-00-3 ethyl 8-bromo-7-(4-(tert-butoxycarbonyl)-2-nitrophenoxy)-6-chlorochroman-4-carboxylate 
• 1233696-44-0 ethyl 7-(4-(tert-butoxycarbonyl)-2-nitrophenoxy)-6,8-dichlorochroman-4-carboxylate 
• 1883727-34-1 (1S,3’R,6’R,7’S,9’E,11’S,12’R)-6-chloro-7'-methoxy-11’,12’-dimethyl-3,4-dihydro-2H,15’H-spiro[naphthalene-1,22’-[20]oxa[13]thia[1,14]diazatetracyclo[14.7.2.03,6.019,24]pentacosa[9,16,18,24]tetraen]-15’-one-13’,13'-dioxide 
• 1883727-34-1 (1S,3'R,6'R,7'S,8'Z,11'S,12'R)-6-chloro-7'-methoxy-11',12'-dimethyl-3,4-dihydro-2H,15'H-spiro[naphthalene-1,22'-[20]oxa[13]thia[1,14]diazatetracyclo[14.7.2.0³'⁶.0¹⁹'²⁴]pentacosa[8,16,18,24]tetraen]-15'-one 13',13'-dioxide 
• 1202887-27-1 sodium 6,8-dichloro-7-(4-(4-chlorophenethylcarbamoyl)phenoxy)chroman-4-carboxylate 
• 1202890-04-7 ethyl 7-(4-(tert-butoxycarbonyl)-2-nitrophenoxy)-6,8-dicyclopropylchroman-4-carboxylate 
• 1202890-17-2 ethyl 6,8-dichloro-7-(4-(4-chlorophenethylcarbamoyl)phenoxy)chroman-4-carboxylate 
• 1202890-06-9 ethyl 7-(4-(tert-butoxycarbonyl)-2-nitrophenoxy)-6-chloro-8-cyclopropylchroman-4-carboxylate 
• 1202890-18-3 6,8-dichloro-7-(4-(4-chlorophenethylcarbamoyl)phenoxy)chroman-4-carboxylic acid 
• 1233696-46-2 ethyl 7-(2-amino-4-(tert-butoxycarbonyl)phenoxy)-6,8-dichlorochroman-4-carboxylate 
• 1202890-01-4 ethyl 7-(2-amino-4-(tert-butoxycarbonyl)phenoxy)-8-bromo-6-chlorochroman-4-carboxylate 
• 1202890-02-5 ethyl 8-bromo-7-(4-(tert-butoxycarbonyl)phenoxy)-6-chlorochroman-4-carboxylate 

Relevant articles and documents

Synthesis and library construction of privileged tetra-substituted Δ5-2-oxopiperazine as β-turn structure mimetics

In this study, we developed an efficient and practical procedure for the synthesis of tetra-substituted Δ5-2-oxopiperazine that mimics the bioactive β-turn structural motif of proteins. This synthetic route is robust and modular enough to accommodate four different substituents to obtain a high level of molecular diversity without any deterioration in stereochemical enrichment of the natural and unnatural amino acids. Through the in silico studies, including a distance calculation of side chains and a conformational overlapping of our model compound with a native β-turn structure, we successfully demonstrated the conformational similarity of tetra-substituted Δ5-2-oxopiperazine to the β-turn motif. For the library construction in a high-throughput manner, the fluorous tag technology was adopted with the use of a solution-phase parallel synthesis platform. A 140-membered pilot library of tetra-substituted Δ5-2- oxopiperazines was achieved with an average purity of 90% without further purification.

MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS

Provided are compounds represented by Formula (I-A) and the pharmaceutically acceptable salts and solvates thereof, wherein R8, R9a, R9b, R9c, R9d, X, Y, Z, Z1, W, and (aa) are as defined as set forth in the specification. Provided are also compounds of Formula (I-A) for use to treat a condition or disorder responsive to Mcl-1 inhibition such as cancer.

COMPOUNDS THAT INHIBIT MCL-1 PROTEIN

Provided herein are myeloid cell leukemia 1 protein (Mcl-1) inhibitors, methods of their preparation, related pharmaceutical compositions, and methods of using the same. For example, provided herein are compounds of Formula (I), or a stereoisomer thereof; and pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the compounds. The compounds and compositions provided herein may be used, for example, in the treatment of diseases or conditions, such as cancer.