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Chemical Structure| 1336938-29-4 Chemical Structure| 1336938-29-4

Structure of 1336938-29-4

Chemical Structure| 1336938-29-4

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Product Details of [ 1336938-29-4 ]

CAS No. :1336938-29-4
Formula : C17H17NO4S
M.W : 331.39
SMILES Code : COC1=CC(OC)=CC(C([N+]#[C-])S(=O)(C2=CC=C(C)C=C2)=O)=C1
MDL No. :N/A

Safety of [ 1336938-29-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302+H312+H332-H315-H319
Precautionary Statements:P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312

Application In Synthesis of [ 1336938-29-4 ]

* 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 [ 1336938-29-4 ]

[ 1336938-29-4 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1336938-29-4 ]
  • [ 100-46-9 ]
  • [ 204905-77-1 ]
  • N-benzyl-4-(3,5-dimethoxyphenyl)-5-[(3,4-ethylenedioxyl)thiophenyl]imidazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
Example 44 Preparation of N-benzyl-4-(3,5-dimethoxyphenyl)-5-[(3,4-ethylenedioxyl)thiophenyl]imidazole (C258) 3,4-Ethylenedioxyl thiophene aldehyde (0.60 g, 3.5 mmol), benzylamine (0.5 mL, 4.6 mmol), 2.5 g anhydrous calcium chloride and 30 mL anhydrous dichloromethane were added into a 100 mL three-necked flask, and the reaction lasted at room temperature for 8 hours. Calcium chloride was filtered off, and dichloromethane was evaporated under reduced pressure to give the corresponding imine compound. 1-p-Toluenesulfonyl-1-(3,5-dimethoxyphenyl)methyl isonitrile (0.8 g, 2.4 mmol), 50 mL anhydrous ethanol, 15 mL anhydrous THF, 0.8 g (3.2 mmol) imine, and 1.0 mL tert-butylamine were added into a 100 mL round-bottomed flask. The mixture was stirred at room temperature for 12 hours, while the reaction was monitored by TLC. After concentration, the residue was purified by silica gel column chromatography (ethyl acetate:methanol=100:1) to give a pale yellow solid. Melting point: 149?152 C. 1HNMR (300 MHz, CDCl3) delta (ppm): 7.67 (s, 1H, imidazole-H), 7.27?7.30 (m, 3H, 3*ArH), 7.05 (m, 2H, 2*ArH), 6.89 (s, 2H, 2*ArH), 6.48 (s, 1H, 1*ArH), 6.33 (s, 1H, 1*ArH), 5.03 (s, 2H, 1*Ar CH2N), 4.08-3.92 (d, 4H, OCH2CH2O), 3.72 (s, 6H, 2*OCH3). ESI-MS(m/z): 435.17[M+1]+, calculated: 435.13.
  • 2
  • [ 1336938-29-4 ]
  • [ 100-46-9 ]
  • [ 204905-77-1 ]
  • [ 1418004-70-2 ]
YieldReaction ConditionsOperation in experiment
Example 44 Preparation of N-benzyl-4-(3,5-dimethoxyphenyl)- 5-[(3,4-ethylenedioxyl)thiophenyl]imidazole (C258) 3,4-Ethylenedioxyl thiophene aldehyde (0.60 g, 3.5 mmol), benzylamine (0.5 mL, 4.6 mmol), 2.5g anhydrous calcium chloride and 30mL anhydrous dichloromethane were added into a 100 mL three-necked flask, and the reaction lasted at room temperature for 8 hours. Calcium chloride was filtered off, and dichloromethane was evaporated under reduced pressure to give the corresponding imine compound. 1-p-Toluenesulfonyl-1-(3,5-dimethoxyphenyl)methyl isonitrile (0.8 g, 2.4 mmol), 50 mL anhydrous ethanol, 15 mL anhydrous THF, 0.8 g (3.2 mmol) imine, and 1.0 mL tert-butylamine were added into a 100 mL round-bottomed flask. The mixture was stirred at room temperature for 12 hours, while the reaction was monitored by TLC. After concentration, the residue was purified by silica gel column chromatography (ethyl acetate: methanol = 100: 1) to give a pale yellow solid. Melting point: 149 ? 152C. 1HNMR (300MHz, CDCl3) delta (ppm): 7.67(s, 1H, imidazole-H), 7.27 ? 7.30(m, 3H, 3xArH), 7.05(m, 2H, 2xArH), 6.89(s, 2H, 2xArH), 6.48(s, 1H,1*ArH), 6.33(s, 1H, 1* ArH), 5.03(s, 2H, 1*Ar CH2N), 4.08-3.92(d, 4H, OCH2CH2O), 3.72 (s,6H, 2xOCH3). ESI-MS(m/z): 435.17[M+1] +, calculated: 435.13.
 

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