1123172-89-3

Basic information

• Product Name: (3,5-difluoro-4-nitrophenyl)Methanol
• Synonyms: 3,5-Difluoro-4-nitrobenzyl Alcohol;3,5-Difluoro-4-nitrobenzenemethanol;(3,5-difluoro-4-nitrophenyl)Methanol;Benzenemethanol, 3,5-difluoro-4-nitro-
• CAS NO: 1123172-89-3
• Molecular Formula: C₇H₅F₂NO₃
• Molecular Weight: 189.12
• Mol File: 1123172-89-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 327.2±37.0 °C(Predicted)
• Appearance: /
• Density: 1.531±0.06 g/cm3 (20 oC 760 Torr)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 12.93±0.10(Predicted)
• CAS DataBase Reference: (3,5-difluoro-4-nitrophenyl)Methanol(CAS DataBase Reference)
• NIST Chemistry Reference: (3,5-difluoro-4-nitrophenyl)Methanol(1123172-89-3)
• EPA Substance Registry System: (3,5-difluoro-4-nitrophenyl)Methanol(1123172-89-3)

Safety Data

• Hazardous Substances Data: 1123172-89-3(Hazardous Substances Data)

Usage

General Description

(3,5-difluoro-4-nitrophenyl)methanol is a chemical compound with the molecular formula C7H5F2NO3. It is a white to light yellow solid that is commonly used in the synthesis of pharmaceuticals and agrochemicals. (3,5-difluoro-4-nitrophenyl)methanol is considered to be a versatile building block in organic chemistry due to its ability to undergo various reactions to form different derivatives. It is also known for its strong antibacterial and antiviral properties, making it a valuable compound in the development of new drugs and medications. Additionally, (3,5-difluoro-4-nitrophenyl)methanol is utilized in the production of various dyes, pigments, and other fine chemicals. Its unique properties and versatility make it an important compound in the field of organic chemistry and chemical synthesis.

Upstream product

• 67567-26-4 4-bromo-2,6-difluoroaniline 
• 147808-42-2 5-bromo-1,3-difluoro-2-nitro-benzene 
• 1123172-87-1 methyl 3,5-difluoro-4-nitrobenzoate 

Downstream Products

• 1123172-90-6 5-(bromomethyl)-1,3-difluoro-2-nitro-benzene 
• 1367877-91-5 (3S,4S,5R)-3-(4-amino-3-fluoro-5-((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)benzyl)-4-hydroxy-5-(((5-neopentylisoxazol-3-yl)methyl)amino)tetrahydro-2H-thiopyran 1,1-dioxide 
• 1367877-90-4 (3S,4S,5R)-3-(4-amino-3-fluoro-5-((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)benzyl)-4-hydroxy-5-(((1-neopentyl-1H-pyrazol-4-yl)methyl)amino)tetrahydro-2H-thiopyran 1,1-dioxide 
• 1367877-89-1 (3S,4S,5R)-3-(4-amino-3-fluoro-5-((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)benzyl)-4-hydroxy-5-((3-(trifluoromethoxy)benzyl)amino)tetrahydro-2H-thiopyran 1,1-dioxide 
• 1367877-85-7 (3R,4S,5S)-3-amino-5-(4-amino-3-fluoro-5-((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)benzyl)-4-hydroxytetrahydro-2H-thiopyran 1,1-dioxide 
• 1367877-87-9 (3S,4S,5R)-3-(4-amino-3-fluoro-5-((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)benzyl)-4-hydroxy-5-((3-(2-hydroxypropan-2-yl)benzyl)amino)tetrahydro-2H-thiopyran 1,1-dioxide 
• 1367877-86-8 (3S,4S,5R)-3-(4-amino-3-fluoro-5-((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)benzyl)-5-(((4-(tertbutyl)pyridin-2-yl)methyl)amino)-4-hydroxytetrahydro-2H-thiopyran 1,1-dioxide 
• 1204343-95-2 C₂₇H₃₄F₄N₂O₇S 
• 1123340-12-4 C₂₅H₃₂F₄N₂O₄S 
• 1123173-03-4 (3R,4S,5S)-3-(3-tert-butyl-benzylamino)-5-[3-fluoro-4-nitro-5-(2,2,2-trifluoro-ethoxy)-benzyl]-1,1-dioxo-hexahydro-1λ6-thiopyran-4-ol 
• 1204343-92-9 (3R,4S,5S)-3-amino-5-(3-fluoro-5-((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)-4-nitrobenzyl)-4-hydroxytetrahydro-2H-thiopyran 1,1-dioxide hydrochloride 
• 1204343-91-8 tert-butyl ((3R,4S,5S)-5-(3-fluoro-5-((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)-4-nitrobenzyl)-4-hydroxy-1,1-dioxidotetrahydro-2Hthiopyran-3-yl)carbamate 
• 1204343-90-7 tert-butyl ((3R,4S,5S)-5-(3-fluoro-5-((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)-4-nitrobenzyl)-4-hydroxytetrahydro-2H-thiopyran-3-yl)carbamate 
• 1204343-19-0 (3S,4S,5R)-3-(4-amino-3-(((S)-3-ethoxy-1,1,1-trifluoropropan-2-yl)oxy)-5-fluorobenzyl)-5-((3-(tert-butyl)benzyl)amino)-4-hydroxytetrahydro-2H-thiopyran 1,1-dioxide 

Relevant articles and documents

Discovery of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors: Structure-based design and in vivo reduction of amyloid β-peptides

Structure-based design of a series of cyclic hydroxyethylamine BACE1 inhibitors allowed the rational incorporation of prime- and nonprime-side fragments to a central core template without any amide functionality. The core scaffold selection and the structure-activity relationship development were supported by molecular modeling studies and by X-ray analysis of BACE1 complexes with various ligands to expedite the optimization of the series. The direct extension from P1-aryl- and heteroaryl moieties into the S3 binding pocket allowed the enhancement of potency and selectivity over cathepsin D. Restraining the design and synthesis of compounds to a physicochemical property space consistent with central nervous system drugs led to inhibitors with improved blood-brain barrier permeability. Guided by structure-based optimization, we were able to obtain highly potent compounds such as 60p with enzymatic and cellular IC50 values of 2 and 50 nM, respectively, and with >200-fold selectivity over cathepsin D. Pharmacodynamic studies in APP51/16 transgenic mice at oral doses of 180 μmol/kg demonstrated significant reduction of brain Aβ levels.