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[ CAS No. 91658-92-3 ]

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Chemical Structure| 91658-92-3
Chemical Structure| 91658-92-3
Structure of 91658-92-3 * Storage: {[proInfo.prStorage]}

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Alternatived Products of [ 91658-92-3 ]

Product Details of [ 91658-92-3 ]

CAS No. :91658-92-3 MDL No. :MFCD01862066
Formula : C7H5FO3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :156.11 g/mol Pubchem ID :-
Synonyms :

Safety of [ 91658-92-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 91658-92-3 ]

  • Downstream synthetic route of [ 91658-92-3 ]

[ 91658-92-3 ] Synthesis Path-Downstream   1~17

  • 1
  • 2-fluoro-3-(methoxymethoxy)benzoic acid [ No CAS ]
  • [ 91658-92-3 ]
  • 2
  • [ 367-12-4 ]
  • [ 91658-92-3 ]
  • 3
  • [ 117570-31-7 ]
  • [ 91658-92-3 ]
  • 4
  • [ 658084-80-1 ]
  • [ 91658-92-3 ]
  • 4-[2-fluoro-3-carboxyphenoxy]-5-(1-methylethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
15% With triethylamine; In acetonitrile; at 20℃; for 18.0h; B) To a solution of Example 2 (56 mg, 0.26 mmol) in acetonitrile were added 2-fluoro-3-carboxyphenol (80 mg, 0.51 mmol) and triethylamine (0.071 mL, 0.51 mmol) at RT. After 18 h, the mixture was concentrated and purified by reverse phase preparative HPLC. The appropriate fractions were collected and concentrated to afford the desired product (15 mg, 15%). [LC/MS] ; (M+H) [+ =] 388.3
  • 5
  • [ 137654-20-7 ]
  • [ 91658-92-3 ]
YieldReaction ConditionsOperation in experiment
99% With hydrogen bromide; acetic acid; at 110℃; Step 1: Preparation of 2-fluoro-3-hydroxybenzoic acid To the solution of hydrobromic acid in acetic acid (40%, 250 ml) was added <strong>[137654-20-7]2-fluoro-3-methoxybenzoic acid</strong> (25 g, 147 mmol). The mixture was heated at 110 C. overnight. After cooling, acetic acid was removed under reduced pressure. The residue was added water, and extracted with ethyl acetate. The combined extracts were washed with water, brine, and concentrated in vacuo to give the title compound 2-fluoro-3-hydroxybenzoic acid (47.8 g, yield=99%) as a yellow solid, which was used in the next step without further purification: MS (ES) m/z=157 (M+H).
94% With boron tribromide; In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran; at 0 - 20℃; for 77h; A) To a solution of 2-fluoro-3-methoxy carboxylic acid (510 mg, 3 mmol) in DCM was added 1M solution of boron [TRIBROMIDE] (30 [ML,] 30 mmol) at [0 C] for 5 h, followed by stirring at RT for 72 h. A precipitate formed which was filtered and dried to afford the desired product, 2-fluoro-3-carboxyphenol (440 mg, 94%). LC/MS; (M+H) + = 157.2
  • 6
  • [ 91658-92-3 ]
  • [ 1261621-20-8 ]
  • 7
  • [ 67-56-1 ]
  • [ 91658-92-3 ]
  • methyl 2-fluoro-3-hydroxybenzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With thionyl chloride; at 0℃; for 3.0h;Reflux; General procedure: To a solution of 2-fluoro-5-hydroxybenzoic acid(1.56 g, 10 mmol) in anhydrous methanol (10 mL), thionly chloride (1.42 mL, 20mmol) was added dropwise at 0 C. The reaction was allowed to warm to rt andreflux for 3 h. The solvent was removed under reduced pressure, water wasadded, and the mixture was extracted with DCM (80 mL). The organic layer was washedwith water, saturated brine, dried over anhydrous sodium sulfate, evaporated togive title compound as a white solid (1.5 g, 88% yield), which was used in thefollowing step without any further purification
  • 8
  • [ 91658-92-3 ]
  • 3-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-2-fluoro-N-methylbenzamide [ No CAS ]
  • 9
  • [ 91658-92-3 ]
  • methyl 3-(4-bromobutoxy)-2-fluorobenzoate [ No CAS ]
  • 10
  • [ 91658-92-3 ]
  • methyl 3-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-2-fluorobenzoate [ No CAS ]
  • 11
  • [ 91658-92-3 ]
  • 3-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-2-fluoro-N-methylbenzamide hydrochloride [ No CAS ]
  • 12
  • [ 91658-92-3 ]
  • 4,6-dibromo-2-fluoro-3-hydroxybenzoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
97% With bromine; acetic acid; In dichloromethane; at 0℃; for 1.0h; To a solution of <strong>[91658-92-3]2-fluoro-3-hydroxybenzoic acid</strong> (47.8 g, 0.31 mol) in CH2Cl2 (950 mL) and acetic acid (150 mL) was added dropwise a solution of bromine (108 g, 0.67 mol) in CH2Cl2 (350 mL) over 30 min at 0 C. The mixture was then stirred for 30 min at 0 C. The mixture was poured into water (500 mL), and extracted with CH2Cl2/i-PrOH (10/1). The combined extracts were washed brine, dried over anhydrous Na2SO4, and concentrated in vacuo to give 4,6-dibromo-<strong>[91658-92-3]2-fluoro-3-hydroxybenzoic acid</strong> (92.8 g, yield=97%) as a beige solid which was carried on crude.
  • 13
  • [ 91658-92-3 ]
  • 2-fluoro-5-(3-(2-fluoropyridin-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-methoxyaniline [ No CAS ]
  • 14
  • [ 91658-92-3 ]
  • methyl 4,6-dibromo-2-fluoro-3-methoxybenzoate [ No CAS ]
  • 15
  • [ 91658-92-3 ]
  • methyl 2,4-dibromo-6-fluoro-5-methoxy-3-nitrobenzoate [ No CAS ]
  • 16
  • [ 91658-92-3 ]
  • methyl 5-amino-2-fluoro-3-methoxybenzoate [ No CAS ]
  • 17
  • [ 91658-92-3 ]
  • methyl 5-bromo-2-fluoro-3-methoxybenzoate [ No CAS ]
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