15017-52-4

Basic information

• Product Name: 4-Fluoro-3-nitrobenzyl bromide
• Synonyms: 4-(BROMOMETHYL)-1-FLUORO-2-NITROBENZENE;4-FLUORO-3-NITROBENZYL BROMIDE;3-NITRO-4-FLUOROBENZYLBROMIDE;4-Fluoro-3-NitrobenzylBromide96%
• CAS NO: 15017-52-4
• Molecular Formula: C₇H₅BrFNO₂
• Molecular Weight: 234.02
• Product Categories: Aromatic Halides (substituted)
• Mol File: 15017-52-4.mol
• Article Data: 19

Chemical Properties

• Melting Point: 84-86°C
• Boiling Point: 317.4 °C at 760 mmHg
• Flash Point: 145.8 °C
• Appearance: /
• Density: 1.733 g/cm³
• Vapor Pressure: 0.000718mmHg at 25°C
• Refractive Index: 1.588
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 4-Fluoro-3-nitrobenzyl bromide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Fluoro-3-nitrobenzyl bromide(15017-52-4)
• EPA Substance Registry System: 4-Fluoro-3-nitrobenzyl bromide(15017-52-4)

Safety Data

• Hazard Codes: C,Xn
• Statements: 34-36/37/38-22
• Safety Statements: 26-36/37/39
• RIDADR: 1759
• Hazardous Substances Data: 15017-52-4(Hazardous Substances Data)

Usage

Uses

scaffold molecule for combinatorial synthesis

InChI:InChI=1/C7H5BrFNO2/c8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,4H2

Upstream product

• 453-71-4 3-nitro-4-fluorobenzoic acid 
• 459-56-3 4-fluorobenzylic alcohol 
• 459-57-4 4-fluorobenzaldehyde 
• 42564-51-2 4-fluoro-3-nitrobenzaldehyde 
• 446-11-7 4-fluoro-3-nitrotoluene 
• 20274-69-5 (4-fluoro-3-nitrophenyl)methanol 
• 2857-97-8 trimethylsilyl bromide 

Downstream Products

• 20367-99-1 ethyl 2-(acetylamino)-2-(ethoxycarbonyl)-3-(4'-fluoro-3'-nitrophenyl)propanoate 
• 288404-79-5 4-fluoro-3-nitrobenzyltriphenylphosphonium bromide 
• 1312673-45-2 (Z)-2-[3-(benzyloxy)-4-isopropoxyphenethyl]-2'-(4-fluoro-3-nitrostyryl)-4-isopropoxy-4'-methoxybiphenyl 
• 157662-77-6 2-(4-fluoro-3-nitrophenyl)acetonitrile 
• 788824-56-6 N-t-butoxycarbonyl-3-iodothyronamine 
• 788824-64-6 3-Iodothyronamine hydrochloride 
• 1304495-16-6 C₁₄H₁₀INO₂ 
• 1304495-14-4 C₁₅H₁₂N₂O₄ 
• 1304495-15-5 C₁₅H₁₄N₂O₂ 
• 100866-04-4 [3-iodo-4-(4-methoxy-phenoxy)-phenyl]-acetonitrile 
• 946130-09-2 2-(4-fluoro-3-nitrobenzyl)-3-oxobutanoic acid ethyl ester 
• 1416261-03-4 3-(4-fluoro-3-nitrobenzyl)-7-hydroxy-4-methyl-6-chloro-2-oxo-2H-2-benzopyran 
• 1416261-04-5 dimethylcarbamic acid 2-oxo-2H-3-(4-fluoro-3-nitrobenzyl)-4-methyl-6-chloro-1-benzopyran-7-yl ester 
• 1416261-05-6 dimethylcarbamic acid 2-oxo-2H-3-(4-fluoro-3-aminobenzyl)-4-methyl-6-chloro-1-benzopyran-7-yl ester 

Relevant articles and documents

Asymmetric Total Synthesis and Evaluation of Antitumor Activity of Ophiorrhisine A and Its Derivatives

The first asymmetric total synthesis of ophiorrhisine A (1), a new cyclic tetrapeptide isolated from Ophiorrhiza nutans, was accomplished via an intramolecular aromatic nucleophilic substitution reaction (IMSNAr) of a linear tripeptide to construct a 14-membered paracyclophane ring, resulting in confirmation of its structure and absolute configuration. The structure-activity relationship study of 1 and its derivatives demonstrated that some derivatives possessed cytotoxicity toward human cancer cell lines A549, HT29, and HCT116.

4-([1,2,4]Triazolo[1,5-a]pyridin-6-yl)-5(3)-(6-methylpyridin-2-yl)imidazole and -pyrazole derivatives as potent and selective inhibitors of transforming growth factor-β type i receptor kinase

A series of 4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5(3)-(6-methylpyridin-2- yl)imidazoles and -pyrazoles 14a-c, 15a-c, 16a, 16b, 19a-d, 21a, and 21b has been synthesized and evaluated for their ALK5 inhibitory activity in an enzyme assay and in a cell-based luciferase reporter assay. Among them, the pyrazole derivative 21b inhibited ALK5 phosphorylation with an IC50 value of 0.018 μM and showed 95% inhibition at 0.03 μM in a luciferase reporter assay using HaCaT cells permanently transfected with p3TP-luc reporter construct. The 21b showed a high selectivity index of 284 against p38α MAP kinase. The binding pose of 21b generated by docking analysis reveals that it fits well into the ATP binding cavity of ALK5 by forming several hydrogen bond interactions.

NOVEL COMPOUNDS FOR MODULATION OF ROR-GAMMA ACTIVITY

The present invention relates to aryl sulfones and related compounds that are modulators of ROR-gamma receptors. The invention also provides pharmaceutical compositions comprising these modulators, and methods of modulating ROR-gamma receptors using them. Also provided are methods of using aryl sulfones and related compounds as modulators of ROR-gamma to treat ROR-gamma mediated diseases