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Chemical Structure| 1103768-13-3 Chemical Structure| 1103768-13-3

Structure of 1103768-13-3

Chemical Structure| 1103768-13-3

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Product Details of [ 1103768-13-3 ]

CAS No. :1103768-13-3
Formula : C10H9BrO3
M.W : 257.08
SMILES Code : O=C(OC)C(C1=CC=CC=C1Br)C=O

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Application In Synthesis of [ 1103768-13-3 ]

* 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 [ 1103768-13-3 ]

[ 1103768-13-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1103768-13-3 ]
  • [ 20332-16-5 ]
  • 6-[3-(methoxy-carbonyl)-1H-indol-1-yl]-1,3-benzodioxole-5-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
To a solution of 2 g (7.8 mmol) 2 ~ (2-bromophenyl) -3-oxopropanoate (prepared according to Heterocycles, 2008 2973-2980) in 20 mL of methanol were added 1.4 g (7, 8 mmol) of 6-amino-l, 3-benzodioxole-5-carboxylic acid (obtained according to a literature procedure: Mahindoo N. et al, Med Chem Res 14 (6..), 347, 2006).The reaction mixture is stirred for 48 hours at room temperature, then evaporated to dryness.Then added successively 73 mg of CuI (0.38 mmol), 3.3 g of K3PO4(15.6 mmol), 0.9 mL (15.6 mmol) of ethylene glycol and 31 ml of dimethylformamide (DMF).The reaction medium is then heated at 80 C for 15 h.The solvents are evaporated and 200 mL of an aqueous solution of 1M hydrochloric acid is added to the residue.This aqueous phase is extracted with ethyl acetate (3x100 mL).The organic phases are combined and dried over magnesium sulfate, then filtered and evaporated to dryness.The crude product thus obtained is then purified by chromatography on silica gel (dichloromethane / methanol gradient) and then triturated from dichloromethane / diisopropylether to conduirer the expected product in the form of a powder.
To a solution of 2 g (7.8 mmol) of methyl 2-(2-bromophenyl)-3-oxopropanoate (prepared in accordance with Heterocycles, 2008 2973-2980) in 20 mL of methanol there are added 1.4 g (7.8 mmol) of <strong>[20332-16-5]6-amino-1,3-benzodioxole-5-carboxylic acid</strong> (obtained in accordance with a protocol from the literature: N. Mahindoo et al., Med Chem. Res. 14(6), 347, 2006). The reaction mixture is stirred for 48 hours at ambient temperature and then evaporated to dryness. There are then added in succession 73 mg of CuI (0.38 mmol), 3.3 g of K3PO4 (15.6 mmol), 0.9 mL (15.6 mmol) of ethylene glycol and 31 mL of dimethylformamide (DMF). The reaction mixture is then heated at 80 C. for 15 hours. The solvents are evaporated off, and 200 mL of a 1M aqueous hydrochloric acid solution are added to the residue. This aqueous phase is extracted with ethyl acetate (3×100 mL). The organic phases are combined and dried over magnesium sulphate and then filtered and evaporated to dryness. The crude product so obtained is then purified by chromatography over silica gel (dichloromethane/methanol gradient) before being triturated in a dichloromethane/diisopropyl ether mixture to yield the expected product in the form of a powder. (0103) 1H NMR: delta (400 MHz; dmso-d6; 300K): 12-13 (m, 1H, CO2H); 8.10 (s, 1H, aromatic H); 8.05 (dd, 1H, H indole); 7.45 (s, 1H, aromatic H); 7.25 (m, 2H, H indole); 7.05 (d, 1H, H indole); 6.25 (s, 2H, methylenedioxy); 3.85 (s, 3H, OCH3). (0104) IR: nu OH: 3100-2500 cm-1; nu: >C?O: 1687 cm-1 (split band)
 

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