697739-03-0 Usage
Uses
Methyl 5-fluoro-2-methyl-3-nitrobenzoate is used in organic synthesis and it is used in the synthesis of 6-Fluoro-4-nitroisobenzofuran-1 (3H)-one.
Preparation
Methyl 5-fluoro-2-methyl-3-nitrobenzoate synthesis: To a solution of conc. H2SO4 (700mL) was added portionwise 5-fluoro-2-methylbenzoic acid (80g, 520 mmol) at -5-0°C. Then a mixture of conc. HNO3(60.4 g. 624 mmol) in conc. H2SO4 (60 mL) was added drop-wise at -5-0°C. in a period of about 1.5 hrs. After the addition, the mixture was stirred at this temperature for 2 hrs. TLC (petroleum ether/ EtOAc=1:1) showed the reaction was complete. The mixture was poured into crash ice with vigorous stirring and the precipitate was collected by filtration. The precipitate was dissolved in EtOAc, washed with brine, dried over anhydrous Na2SO4 concentrated to give crude 5-fluoro-2-methyl-3-nitrobenzoic acid (54 g). A solution of this crude 5-fluoro-2-methyl-3-nitrobenzoic acid (54 g) in dry methanol (500 mL) was cooled to 0°C., SOCl2 (64.52g, 542.3 mmol) was added drop-wise. After the addition, the mixture was heated to reflux for 16hrs. TLC (petroleum ether/EtOAc=1:1) showed the reaction was complete. Solvent was removed under reduced pressure to give crude product. The crude product was purified by silica gel chromatography (petroleum ether to petro leum ether/EtOAc=50: 1) to give methyl 5-fluoro-2-methyl-3-nitrobenzoate (28 g, yield 25% for two steps) as a white solid.
Check Digit Verification of cas no
The CAS Registry Mumber 697739-03-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,9,7,7,3 and 9 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 697739-03:
(8*6)+(7*9)+(6*7)+(5*7)+(4*3)+(3*9)+(2*0)+(1*3)=230
230 % 10 = 0
So 697739-03-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H8FNO4/c1-5-7(9(12)15-2)3-6(10)4-8(5)11(13)14/h3-4H,1-2H3
697739-03-0Relevant articles and documents
ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS
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Page/Page column 136, (2020/11/30)
The disclosure relates to anti-cancer compounds derived from nuclear steroid receptor binders, to products containing the same, as well as to methods of their use and preparation.
ETHER COMPOUNDS AND USES THEREOF
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, (2019/03/12)
The present invention provides compounds that modulate protein function, to restore protein homeostasis and/or cell-cell adhesion. The invention provides methods of modulating protein-mediated diseases, such as cytokine-mediated diseases, disorders, conditions, or responses. Compositions of these compounds are also provided. Methods of treatment, amelioration, or prevention of protein-mediated diseases, disorders, and conditions are also provided.
Preparation method of ovarian cancer resistance medicine Rucaparib key intermediate
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, (2018/09/11)
The invention discloses a preparation method of an ovarian cancer resistance medicine Rucaparib key intermediate, and relates to preparation of medical intermediates. A compound 1 takes methyl alcoholand cyclohexane as solvents, toluenesulfonic acid serve
