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[ CAS No. 1203589-45-0 ] {[proInfo.proName]}

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Chemical Structure| 1203589-45-0
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Product Details of [ 1203589-45-0 ]

CAS No. :1203589-45-0 MDL No. :MFCD18382526
Formula : C9H7ClO3 Boiling Point : -
Linear Structure Formula :- InChI Key :SOXUFEOUBZHAEE-UHFFFAOYSA-N
M.W : 198.60 Pubchem ID :58437623
Synonyms :

Safety of [ 1203589-45-0 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501 UN#:
Hazard Statements:H302-H312-H332 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1203589-45-0 ]

* 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 [ 1203589-45-0 ]

[ 1203589-45-0 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 4506-45-0 ]
  • [ 77-78-1 ]
  • [ 1203589-45-0 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In acetone; at 0 - 30℃; for 4h; General procedure: To a dried flask containing a magnetic stir bar under an atmosphere of dry argon was added the 2-formylbenzoic acid (1.0 equiv), K2CO3 (2.0 equiv) and acetone (0.2 M). The solution was cooled to 0 C followed by drop-wise addition of Me2SO4 (1.3 equiv). The reaction mixture was allowed to warm to 30 C for 4 h, and quenched by adding EtOAc and water. The organic phase was extracted with EtOAc, washed with brine, dried over sodium sulfate, and concentrated in vacuo. The crude product was purified by flash column chromatography (PE/EA: 25/1 to 5/1) to afford the desired product.
  • 2
  • [ 4506-45-0 ]
  • [ 74-88-4 ]
  • [ 1203589-45-0 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 4h; Intermediate 7.1: 5-Chloro-2-formyl-benzoic acid methyl ester To a heterogeneous mixture of <strong>[4506-45-0]5-chloro-2-formyl-benzoic acid</strong> (1.0 g, 5.42 mmol) and K2CO3 (1.12 g, 8.13 mmol) in DMF (7 ml) was added MeI (0.41 ml, 6.5 mmol) at RT. The reaction mixture was stirred for 4 h then diluted into Et2O and washed with water (2*). The organic layer was dried over Na2SO4, filtered and evaporated to dryness to yield the crude title compound (700 mg, 3.52 mmol, 65%) as a light yellow solid, which was used without further purification. HPLC: AtRet=1.84 min; LC-MS: m/z 199.3 [M+H]+; 1H NMR (400 MHz, DMSO-d6): 3.91 (s, 3H), 7.84-7.94 (m, 3H), 10.33 (s, 1H).
  • 3
  • [ 67-56-1 ]
  • [ 201230-82-2 ]
  • [ 84459-33-6 ]
  • [ 1203589-45-0 ]
YieldReaction ConditionsOperation in experiment
9% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; triethylamine; at 80℃; under 3800.26 Torr; Step 1: Pre aration of methyl 5-chloro-2-formylbenzoate [00464] A 250-mL pressure tank reactor was charged with 2-bromo-4- chlorobenzaldehyde (20.0 g, 91.1 mmol, 1.00 equiv), methanol (120 mL), triethylamine (18.5 g, 183 mmol, 2.01 equiv), and Pd(dppf)Ci2 (731 mg, 1.00 mmol, 0.01 equiv). To the above, CO (5 atm) was introduced. The resulting solution was stirred overnight at 80 C and concentrated under reduced pressure. The residue was chromatographed on a silica gel column with ethyl acetate/petroleum ether (10/90) to provide 1.60 g (9% yield) of methyl 5-chloro-2- formylbenzoate as a yellow oil. XH NMR (300 MHz, Chloroform-if) delta 10.47 (s, 1H), 7.78-7.88 (m, 2H), 7.50-7.52 (m, 1H), 3.90 (s, 3H). GCMS (EI, m/z): 198 M+.
  • 5
  • [ 99585-13-4 ]
  • [ 1203589-45-0 ]
YieldReaction ConditionsOperation in experiment
72% With dipotassium peroxodisulfate; cobalt(II) diacetate tetrahydrate; trifluoroacetic acid; trifluoroacetic anhydride at 80℃; chemoselective reaction;
Multi-step reaction with 2 steps 1: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / Reflux 2: 4-methylmorpholine N-oxide / dimethyl sulfoxide / 20 °C
Multi-step reaction with 2 steps 1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 4 h / Reflux; Inert atmosphere 2: 4-methylmorpholine N-oxide / tetrahydrofuran / 16 h / 100 °C / Inert atmosphere
  • 6
  • [ 668262-52-0 ]
  • [ 1203589-45-0 ]
YieldReaction ConditionsOperation in experiment
With 4-methylmorpholine N-oxide; In dimethyl sulfoxide; at 20℃; A mixture of <strong>[668262-52-0]methyl 2-(bromomethyl)-5-chlorobenzoate</strong> (9.9 g, 37.63 mmol, 1.0 eq) and N- methylmorpholine oxide (10.0 g, 94.08 mmol, 2.5 eq) in DMSO (40 mL) was stirred overnight at RT. The completion of the reaction was monitored by analytical HPLC. When complete, the mixture was diluted with EtOAc, washed with sat?d NaHCO3, dried over sodium sulfate, concentrated and purified by flash column chromatography to afford the desired product.
  • 7
  • [ 21739-93-5 ]
  • [ 1203589-45-0 ]
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