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Chemical Structure| 104530-80-5 Chemical Structure| 104530-80-5

Structure of 104530-80-5

Chemical Structure| 104530-80-5

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Product Details of [ 104530-80-5 ]

CAS No. :104530-80-5
Formula : C11H17NO4S
M.W : 259.32
SMILES Code : N[C@@H]1COCC1.O=S(C2=CC=C(C)C=C2)(O)=O
MDL No. :MFCD16660214

Safety of [ 104530-80-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P280-P302+P352-P305+P351+P338

Application In Synthesis of [ 104530-80-5 ]

* 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 [ 104530-80-5 ]

[ 104530-80-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1840-27-3 ]
  • 4-chlorosulfonyl-1-methyl-pyrrole-2-carbonyl chloride [ No CAS ]
  • [ 104530-80-5 ]
  • N-(4-fluoro-3,5-dimethyl-phenyl)-1-methyl-4-[[(3S)-tetrahydrofuran-3-yl]-sulfamoyl]pyrrole-2-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
1.7 g 4-fluoro-3,5-dimethyl-benzenamine (995 mg, 7.1 mmol) dissolved in toluene (20 mL) was added dropwise to a solution of 4-chlorosulfonyl-1-methyl-pyrrole-2-carbonylchloride (1.7 g) in toluene (100 mL) at reflux. The reaction mixture was refluxed 1 hour and next allowed to cool to room temperature. (S)-(-)-3 -aminotetrahydrofuran p-toluenesulfonate (2.0 g, 7.9 mmol) and DIPEA (3.1 mL, 17.9 mmol) dissolved in CH2C12 (50 mL) was added, the reaction mixture wasstirred for 1 hour and then concentrated in vacuo. The obtained residue was dissolved in EtOAc (300 mL), washed with 1 M HC1 (2x), water and saturated NaHCO3. The solution was dried over magnesium sulphate, filtered and concentrated. The obtained residue was purified by silica gel column chromatography (gradient from 20 till 100% EtOAc in heptanes). The product fractions were concentrated and the obtained residue was recrystallized from hot EtOAc (100 mL) uponaddition of heptane. The white crystals were filtered off and dried in vacuo resulting incompound 31(1.7 g) as a white powder. Method A; Rt: 1.68 mm. mlz : 393.9 (M-H) Exactmass: 395.1. ‘H NMR (400 MHz, DMSO-d6) öppm 1.66- 1.77 (m, 1 H), 1.92-2.03 (m, 1 H),2.21 (d, J=2.0 Hz, 6 H), 3.40 - 3.47 (m, 1 H), 3.61 (td, J=8.1, 5.9 Hz, 1 H), 3.66 - 3.76 (m, 3 H),3.91 (s, 3 H), 7.31 (d, J2.0 Hz, 1 H), 7.43 (d, J6.8 Hz, 2 H), 7.50 - 7.58 (m, 2 H), 9.94 (s, 1 H).
 

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Related Functional Groups of
[ 104530-80-5 ]

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Related Parent Nucleus of
[ 104530-80-5 ]

Tetrahydrofurans

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