510771-54-7

Basic information

• Product Name: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)aniline
• Synonyms: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)aniline;3-Amino-5-trifluoromethylphenylboronic acid, pinacol ester
• CAS NO: 510771-54-7
• Molecular Formula: C₁₃H₁₇BF₃NO₂
• Molecular Weight: 287.0857896
• Mol File: 510771-54-7.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 144-146 °C(Press: 0.7 Torr)
• Appearance: /
• Density: 1.19±0.1 g/cm3(Predicted)
• Storage Temp.: Refrigerated.
• PKA: 3.36±0.11(Predicted)
• CAS DataBase Reference: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)aniline(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)aniline(510771-54-7)
• EPA Substance Registry System: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)aniline(510771-54-7)

Safety Data

• Hazardous Substances Data: 510771-54-7(Hazardous Substances Data)

Usage

General Description

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)aniline is a chemical compound that consists of a boron-containing ring and a trifluoromethyl group attached to an aniline ring. It is used in organic synthesis as a versatile building block for the preparation of various pharmaceuticals, agrochemicals, and materials. Due to its unique structure and properties, this compound has potential applications in medicinal chemistry, materials science, and other fields. Its distinct reactivity and compatibility with a variety of functional groups make it an important reagent in the development of new synthetic methods and the production of complex organic molecules.

Upstream product

• 98-16-8 3-trifluoromethylaniline 
• 73183-34-3 bis(pinacol)diborane 
• 25015-63-8 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane 
• 54962-75-3 [3-bromo-5-(trifluoromethyl)phenyl]amine 

Downstream Products

• 1224100-66-6 tert-butyl [6-[3-amino-5-(trifluoromethyl)phenyl]-3-(cyclobutylamino)-2-oxopyrazin-1(2H)-yl]acetate 
• 510771-55-8 tert-butyl [6-[3-amino-5-(trifluoromethyl)phenyl]-3-(isopropylamino)-2-oxopyrazin-1(2H)-yl]acetate 

Relevant articles and documents

MACROCYCLIC RIP2-KINASE INHIBITORS

The present invention relates to macrocyclic compounds and compositions containing said compounds acting as kinase inhibitors, in particular as inhibitors of RIP2-kinase, and/or mutants thereof, for use in the diagnosis, prevention and/or treatment of RIP2-kinase associated diseases. Moreover, the present invention provides methods of using said compounds, for instance as a medicine or diagnostic agent.

PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS

This invention relates to novel compounds which are inhibitors of the Rearranged during Transfection (RET) kinase, to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy, alone or in combination, for the normalization of gastrointestinal sensitivity, motility and/or secretion and/or abdominal disorders or diseases and/or treatment related to diseases related to RET dysfunction or where modulation of RET activity may have therapeutic benefit including but not limited to all classifications of irritable bowel syndrome (IBS) including diarrhea-predominant, constipation-predominant or alternating stool pattern, functional bloating, functional constipation, functional diarrhea, unspecified functional bowel disorder, functional abdominal pain syndrome, chronic idiopathic constipation, functional esophageal disorders, functional gastroduodenal disorders, functional anorectal pain, inflammatory bowel disease, proliferative diseases such as non-small cell lung cancer, hepatocellular carcinoma, colorectal cancer, medullary thyroid cancer, follicular thyroid cancer, anaplastic thyroid cancer, papillary thyroid cancer, brain tumors, peritoneal cavity cancer, solid tumors, other lung cancer, head and neck cancer, gliomas, neuroblastomas, Von Hippel-Lindau Syndrome and kidney tumors, breast cancer, fallopian tube cancer, ovarian cancer, transitional cell cancer, prostate cancer, cancer of the esophagus and gastroesophageal junction, biliary cancer, adenocarcinoma, and any malignancy with increased RET kinase activity.

Synthesis of a versatile 2 (1H)-pyrazinone core for the preparation of Tissue Factor-Factor VIIa inhibitors

A new, general synthetic route to 2(1H)-pyrazinones 11 is described. The four-step synthesis is accomplished utilizing a regioselective hydrolysis and N-alkylation. These compounds efficiently undergo metal-catalyzed cross-coupling reactions to install P2 diversity groups in the 6-position, which can be used to refine the SAR of the S2 pocket of the Tissue Factor/Factor VIIa (TF/VIIa) complex.