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[ CAS No. 333780-75-9 ] {[proInfo.proName]}

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Chemical Structure| 333780-75-9
Chemical Structure| 333780-75-9
Structure of 333780-75-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 333780-75-9 ]

CAS No. :333780-75-9 MDL No. :MFCD07368093
Formula : C7H3F2IO2 Boiling Point : -
Linear Structure Formula :- InChI Key :RBZFCUDQWRXOLM-UHFFFAOYSA-N
M.W :284.00 Pubchem ID :16125305
Synonyms :

Safety of [ 333780-75-9 ]

Signal Word:Warning Class:
Precautionary Statements:P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 333780-75-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 333780-75-9 ]

[ 333780-75-9 ] Synthesis Path-Downstream   1~14

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  • [ 935660-92-7 ]
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  • [ 819058-36-1 ]
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  • [ 796967-67-4 ]
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  • C21H18FN5O [ No CAS ]
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  • [ 935660-91-6 ]
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  • [ 21988-87-4 ]
  • [ 1262193-17-8 ]
  • 9
  • [ 333780-75-9 ]
  • [ 288-36-8 ]
  • 2-(1H-1,2,3-triazol-1-yl)-5-(trifluoromethyl)benzoic acid [ No CAS ]
  • 2,3-difluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
With trans-N,N'-dimethyl-1,2-cyclohexyldiamine; copper(l) iodide; caesium carbonate; In 1,4-dioxane; water; at 0 - 120℃; for 0.25h;Microwave irradiation; Intermediate 37a and 37b: 2-(2H-1,2,3-Triazol-2-yl)-5-(trifluoromethyl)benzoic acid (Intermediate 37a) and 2-(1H-1,2,3-Triazol-1-yl)-5-(trifluoromethyl)benzoic acid (Intermediate 37b) To a solution of 2H-1,2,3-triazole (CAS number 288-36-8; 1.0 g, 10.86 mmol) in DMF (4 ml) at 0-10 C. was added cesium carbonate (4.71 g, 14.49 mmol), copper (I) iodide (68 mg, 0.36 mmol), trans-1-N,2-N-dimethylcyclohexane-1,2-diamine (200 mg, 1.44 mmol) and 2-iodo-5-(trifluoromethyl)benzoic acid (CAS number 702641-04-1; 2.28 g, 7.24 mmol). The reaction was subjected to microwave irradiation at 120 C. for 15 minutes and was then partitioned between ethyl acetate (2×100 ml) and water (50 ml). The aqueous layer was acidified with HCl (aq, 2M) to give pH 2 and the organics were extracted with ethyl acetate (3×100 ml). The combined organics were washed with brine, dried over sodium sulfate and concentrated in vacuo. The resulting residue was purified by column chromatography (silica, 0-3% methanol/DCM) to afford 2-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)benzoic acid (Intermediate 37a; also commercially available CAS number 1384066-81-2). The mixed fractions were further purified by column chromatography (silica, 0-3% methanol/DCM) followed by reverse phase preparative HPLC (eluted with acetonitrile/water containing 0.1% formic acid) to afford 2-(1H-1,2,3-triazol-1-yl)-5-(trifluoromethyl)benzoic acid (Intermediate 37b). Intermediate 37a 1H NMR (400 MHz, DMSO) delta ppm 8.07-8.08 (m, 3H), 8.20 (s, 2H), 13.57 (bs, 1H) MS ES+: 258 Intermediate 37b 1H NMR (400 MHz, DMSO) delta ppm 7.90-7.97 (m, 2H), 8.16-8.21 (m, 2H), 8.65 (s, 1H), 13.65 (bs, 1H) MS ES+: 258 Intermediate 39a and 39b: 2,3-Difluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid (Intermediate 39a) and 2,3-Difluoro-6-(1H-1,2,3-triazol-1-yl)benzoic acid (Intermediate 39b) Prepared according to the procedure for 2-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)benzoic acid (Intermediate 37a) and 2-(1H-1,2,3-triazol-1-yl)-5-(trifluoromethyl)benzoic acid (Intermediate 37b) from 2H-1,2,3-triazole (CAS number 288-36-8; 0.75 g, 10.86 mmol) and 2,3-difluoro-6-iodobenzoic acid (CAS number 333780-75-9; 1.54 g, 5.43 mmol) in 1,4-dioxane (10 ml) and water (0.2 ml). The crude solid was purified by column chromatography (silica, 0-3% methanol/DCM) to afford 2,3-difluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid (Intermediate 39a). The mixed fractions were further purified by column chromatography (silica, 0-3% methanol/DCM) followed by reverse phase preparative HPLC (eluted with acetonitrile/water containing 0.1% formic acid) to afford 2,3-difluoro-6-(1H-1,2,3-triazol-1-yl)benzoic acid (Intermediate 39b). Intermediate 39a 1H NMR (400 MHz, DMSO) delta ppm 7.73-7.79 (m, 2H), 8.16 (s, 2H), 14.05 (bs, 1H) MS ES+: 226 Intermediate 39b 1H NMR (400 MHz, DMSO) delta ppm 7.60-7.63 (m, 1H), 7.79-7.86 (m, 1H), 7.96 (s, 1H), 8.61 (s, 1H), 14.17 (bs, 1H) MS ES+: 226
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  • N-(2-(2,3-difluoro-6-iodobenzylthio)-6-((R)-1-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy)pyrimidin-4-yl)-N-(4-methoxybenzyl)azetidine-1-sulfonamide [ No CAS ]
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  • N-(2-(2,3-difluoro-6-iodobenzylthio)-6-((2R,3S)-3,4-dihydroxybutan-2-yloxy)pyrimidin-4-yl)azetidine-1-sulfonamide [ No CAS ]
  • 12
  • [ 333780-75-9 ]
  • N-(2-(2,3-difluoro-[6-3H]benzylthio)-6-((2R,3S)-3,4-dihydroxybutan-2-yloxy)pyrimidin-4-yl)azetidine-1-sulfonamide [ No CAS ]
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  • 2,3-difluoro-6-iodobenzyl alcohol [ No CAS ]
  • 14
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  • 2,3-difluoro-6-iodobenzyl bromide [ No CAS ]
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