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Chemical Structure| 881190-50-7 Chemical Structure| 881190-50-7

Structure of 881190-50-7

Chemical Structure| 881190-50-7

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Product Details of [ 881190-50-7 ]

CAS No. :881190-50-7
Formula : C10H11BrO3
M.W : 259.10
SMILES Code : O=C(O)CCC1=CC(OC)=CC(Br)=C1
MDL No. :MFCD18391951
InChI Key :RSXGLEDSUKMASK-UHFFFAOYSA-N
Pubchem ID :58951119

Safety of [ 881190-50-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 881190-50-7 ]

* 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 [ 881190-50-7 ]

[ 881190-50-7 ] Synthesis Path-Downstream   1~3

  • 2
  • [ 74137-36-3 ]
  • [ 881190-50-7 ]
  • 3
  • [ 2033-24-1 ]
  • [ 262450-65-7 ]
  • [ 881190-50-7 ]
YieldReaction ConditionsOperation in experiment
64.34% With formic acid; triethylamine; In N,N-dimethyl-formamide; at 0 - 100℃; To formic acid (10.8 g, 233.95 mmol, 3 equiv) at 0 oC was added TEA (9.5 g, 93.58 mmol, 1.2 equiv) dropwise. After stirring for 30 min. at rt, to this mixture were added <strong>[262450-65-7]3-bromo-5-methoxybenzaldehyde</strong> (16.77 g, 77.98 mmol, 1 equiv) and 2,2-dimethyl-1,3- dioxane-4,6-dione (11.2 g, 77.71 mmol, 1.00 equiv) in DMF (75 mL) dropwise. The reaction mixture was stirred at 100 oC for 50 h, cooled to 0 oC, quenched with conc. HCl (20mL), and diluted with water (500 mL). The mixture was extracted with DCM (300 mL) three times. The combined organic layers were washed with NaOH (1 N, 500 mL) twice. The aqueous phase was combined, acidified to pH 2 with conc. HCl, and extracted with EtOAc (300 mL) twice. The combined organic layers were washed with brine (500 mL) twice, dried over anhydrous Na2SO4, and concentrated under reduced pressure to give 3-(3-bromo-5- methoxyphenyl) propanoic acid (45-3) (13 g, 64.34%) as a yellow oil.
 

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