221218-33-3

Basic information

• Product Name: 2-fluoro-4-isocyanato-1-methoxybenzene(SALTDATA: FREE)
• Synonyms: 2-fluoro-4-isocyanato-1-methoxybenzene(SALTDATA: FREE)
• CAS NO: 221218-33-3
• Molecular Formula: C₈H₆FNO₂
• Molecular Weight: 167.1371432
• Mol File: 221218-33-3.mol

Chemical Properties

• Boiling Point: 238.0±30.0 °C(Predicted)
• Appearance: /
• Density: 1.16±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 2-fluoro-4-isocyanato-1-methoxybenzene(SALTDATA: FREE)(CAS DataBase Reference)
• NIST Chemistry Reference: 2-fluoro-4-isocyanato-1-methoxybenzene(SALTDATA: FREE)(221218-33-3)
• EPA Substance Registry System: 2-fluoro-4-isocyanato-1-methoxybenzene(SALTDATA: FREE)(221218-33-3)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 221218-33-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-fluoro-4-isocyanato-1-methoxybenzene (SALTDATA: FREE) is used as a synthetic intermediate for the development of various pharmaceuticals. Its unique structure allows for the creation of new drug molecules with specific therapeutic properties, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 2-fluoro-4-isocyanato-1-methoxybenzene (SALTDATA: FREE) serves as a key component in the synthesis of pesticides and other agrochemicals. Its incorporation into these products enhances their effectiveness in controlling pests and diseases, thereby improving crop yields and food security.

Upstream product

• 366-99-4 3-fluoro-4-methoxyaniline 
• 503-38-8 trichloromethyl chloroformate 
• 32315-10-9 bis(trichloromethyl) carbonate 

Downstream Products

• 1354790-53-6 C₁₇H₁₅FN₄O₃ 
• 259227-23-1 N,N-dibenzyl-4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-2,3-dihydrooxazol-4-yl]benzenesulfonamide 
• 221219-10-9 (3-fluoro-4-methoxy-phenyl)-carbamic acid 2-(4-dibenzylsulfamoyl-phenyl)-2-oxo-ethyl ester 

Relevant articles and documents

Electrochemically Enabled Intramolecular Aminooxygenation of Alkynes via Amidyl Radical Cyclization

An electrochemical synthesis of oxazol-2-ones and imidazol-2-ones has been developed via 5-exo-dig cyclization of propargylic carbamates- and ureas-derived amidyl radicals. The electrosynthesis relies on the dual function of 2,2,6,6-tetramethylpiperidin- 1-yl)oxyl (TEMPO) as a redox mediator for amidyl radical formation and an oxygen atom donor. The reactions are conducted under mild conditions using a simple setup and provide convenient access to functionalized oxazol-2-ones and imidazol-2-ones from readily available materials.

Design, synthesis and antitumor assessment of phenylureas bearing 5-fluoroindolin-2-one moiety

Background: The development of novel antineoplastic agents remains highly desirable. Objective: This study focuses on the design, synthesis, and antitumor evaluation of phenyl ureas bearing 5-fluoroindolin-2-one moiety. Methods: Three sets of phenylureas were designed and synthesized and their antiproliferative abil-ity was measured against four human carcinoma cell lines (Hela, Eca-109, A549, and MCF-7) via MTT assay. In vivo anticancer activity was further evaluated in xenograft models of human breast cancer (MCF-7). Results: A total of twenty-one new compounds were synthesized and characterized by means of1 H and13 C NMR as well as HR-MS. Three sets of compounds (1a?1c, 2a?2c, and 3a?3c) were ini-tially constructed, and preliminary antiproliferative activities of these molecules were evaluated against Hela, Eca-109, A549 and MCF-7, highlighting the meta-substituted phenylureas (1a?1c) as the most cytotoxic set. A series of meta-substituted phenylureas derivatives (1d?1o) were then designed and synthesized for structure-activity relationship study. Most of the new compounds showed desirable cytotoxicity, among which compound 1g exhibited the most remarkable cyto-toxic effects against the tested human cancer cells with IC50 values ranging from 1.47 to 6.79 μM. Further studies showed that compound 1g suppressed tumor growth in human breast cancer (MCF-7) xenograft models without affecting the body weight of its recipients. Conclusion: In this study, twenty-one new compounds, containing the privileged structures of phenylurea and 5-fluoroindolin-2-one, were designed and synthesized. Subsequent structure-activity studies showed that 1g was the most bioactive antitumor agent among all tested com-pounds, hence a potentially promising lead compound once given further optimization.

N - (4 - (3 - amino - 1 H - indazole - 4 - yl) phenyl) - N' - (2 - fluoro - 5 - methylphenyl) urea intermediate preparation method

The invention provides a preparation method of N-(4-(3-amino-1H-indazol-4-yl) phenyl)-N'-(2-fluoro-5-methylphenyl) urea and an intermediate thereof. Specifically, the invention provides a preparation method of a borate ester compound as shown in a formula I, and the preparation method comprises the following steps: enabling a compound as shown in a formula III to react with a compound as shown in a formula IV to generate a compound as shown in a formula V, and enabling the compound as shown in the formula V to react with a boron reagent to generate the compound as shown in the formula I. The method has the characteristics of convenience in reaction, easiness in obtainment of the intermediate, high yield, high product purity of above 98.5%, low cost of raw materials and the like, and is suitable for industrial application.

Synthesis and biological evaluation of 3,4-diaryloxazolones: A new class of orally active cyclooxygenase-2 inhibitors

A series of 3,4-diaryloxazolones were prepared and evaluated for their ability to inhibit cyclooxygenase-2 (COX-2). Extensive structure-activity relationship work was carried out within this series, and a number of potent and selective COX-2 inhibitors we