946126-94-9 Usage
Description
Methyl 2-fluoro-3-nitrobenzoate is an organic compound that serves as a versatile intermediate in both organic synthesis and pharmaceutical industries. It is characterized by the presence of a fluorine atom at the 2nd position and a nitro group at the 3rd position on a benzene ring, with a methyl ester group attached. This unique structure endows it with specific chemical properties that make it valuable in various applications.
Uses
Used in Organic Synthesis:
Methyl 2-fluoro-3-nitrobenzoate is used as an organic synthesis intermediate for the preparation of various complex organic molecules. Its fluorinated and nitrated structure allows for selective reactions and functional group transformations, making it a useful building block in the synthesis of specialty chemicals and advanced materials.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, Methyl 2-fluoro-3-nitrobenzoate is utilized as a pharmaceutical intermediate. Its unique chemical properties enable the development of new drug candidates with potential therapeutic applications. Methyl 2-fluoro-3-nitrobenzoate can be further modified or used as a precursor in the synthesis of pharmaceuticals, contributing to the discovery of novel treatments for various diseases.
Used in Laboratory Research and Development:
Methyl 2-fluoro-3-nitrobenzoate is also employed in laboratory research and development processes. It serves as a valuable tool for chemists to explore new reaction pathways, investigate the effects of fluorination and nitration on molecular properties, and develop innovative synthetic methodologies.
Used in Chemical Production Processes:
Finally, Methyl 2-fluoro-3-nitrobenzoate is used in chemical production processes, where it is transformed into a variety of end products. Its role in these processes is crucial for the efficient and scalable production of chemicals, pharmaceuticals, and other materials that rely on its unique structural features.
Synthesis
A solution of 2-fluoro-3-nitrobenzoic acid (5 g, 27.0 mmol) in MeOH (50 mL) was treated with concentrated H2SO4 (1.4 mL, 27.0 mmol) and the resulting reaction was stirred at 50 °C for 16 h. The solvent was removed under reduced pressure and the residue was diluted with EtO Ac. The organic solution was washed with saturated aqueous NaHCO3 solution until the water phase reached neutral pH. The two phases were separated. Organics were washed with water, brine and dried (Na2SO4). The solution was filtered and concentrated to give crude methyl 2-fluoro-3-nitrobenzoate which was used as is in the next step. (5.1 g, 25.2 mmol, 93 %) as a pale yellow solid.
Check Digit Verification of cas no
The CAS Registry Mumber 946126-94-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,4,6,1,2 and 6 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 946126-94:
(8*9)+(7*4)+(6*6)+(5*1)+(4*2)+(3*6)+(2*9)+(1*4)=189
189 % 10 = 9
So 946126-94-9 is a valid CAS Registry Number.
InChI:InChI=1/C8H6FNO4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,1H3
946126-94-9Relevant articles and documents
From off-to on-target: New BRAF-inhibitor-template-derived compounds selectively targeting mitogen activated protein kinase kinase 4 (MKK4)
Kl?vekorn, Philip,Pfaffenrot, Bent,Juchum, Michael,Selig, Roland,Albrecht, Wolfgang,Zender, Lars,Laufer, Stefan A.
supporting information, (2020/11/20)
The mitogen-activated protein kinase (MAP) kinase 4 (MKK4) was found to be a major regulator of liver regeneration and could be a valuable drug target addressing liver related diseases by restoring its intrinsic regenerative capacity. We report on the synthesis and optimization of novel MKK4 inhibitors following a target-hopping strategy from the FDA-approved BRAFV600E inhibitor PLX4032 (8). Applying an iterative multi-parameter optimization process we carved out essential structural features yielding in compounds with a low nanomolar affinity for MKK4 and excellent selectivity profiles against the main off-targets MKK7 and JNK1, which, upon relevant inhibition, would totally abrogate the pro-regenerative effect of MKK4 inhibition, as well as against the off-targets MAP4K5, ZAK and BRAF with selectivity factors ranging from 40 to 430 for our best-balanced compounds 70 and 73.
PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH
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Page/Page column 32; 53, (2018/08/12)
The invention relates to MKK4 (mitogen-activated protein kinase 4) and their use in promoting liver regeneration or reducing or preventing hepatocyte death. The MKK4 inhibitors selectively inhibit protein kinase MKK4 over protein kinases JNK and MKK7.
p27 PROTEIN INDUCER
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Paragraph 2887-2891, (2016/10/08)
The present invention provides a p27 protein inducing agent comprising a compound represented by general formula (11) below or pharmaceutically acceptable salt thereof as an active ingredient: wherein G 1 , G 2 , G 3 and G 8 are each independently selected from -N= etc., Ring G 6 is selected from divalent aryl etc., A is selected from amino etc., G 4 is selected from oxygen etc., G 5 is selected from oxygen etc., G 7 is selected from -CH 2 - etc., and R 2 is selected from C 1-6 alkyl etc.
