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[ CAS No. 13205-49-7 ] {[proInfo.proName]}

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Chemical Structure| 13205-49-7
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Product Details of [ 13205-49-7 ]

CAS No. :13205-49-7 MDL No. :MFCD00002556
Formula : C9H10O2S Boiling Point : -
Linear Structure Formula :- InChI Key :LDYCQBKCUOVGDA-UHFFFAOYSA-N
M.W : 182.24 Pubchem ID :83231
Synonyms :

Safety of [ 13205-49-7 ]

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

Application In Synthesis of [ 13205-49-7 ]

* 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 [ 13205-49-7 ]

[ 13205-49-7 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 13205-49-7 ]
  • [ 21571-66-4 ]
YieldReaction ConditionsOperation in experiment
With Oxone; In methanol; water; at 0 - 20℃; for 15h; Preparation of Reagent 1-(chloromethyl)-4-(ethylsulfonyl)benzene; A. Preparation of 4-(ethylsulfonyl)benzoic acid; To a stirring solution of 4-(ethylthio)benzoic acid (1 g, 5.5 mmol) in methanol (30 mL) at 0 C. under argon was added a solution of potassium peroxymonosulfate (6.8 g, 11 mmol) in water (30 mL). The resulted suspension was stirred at room temperature for 15 h. Methanol was evaporated under vacuum, the reaction mixture was diluted with water (30 mL), and the product was extracted with EtOAc (2×30 mL). The combined organic phase was washed with saturated aqueous NaCl, dried (MgSO4), filtered and concentrated under reduced pressure to obtain 910 mg of title compound as a white solid. HPLC/MS: retention time=1.695 min, [M+H]30 =215.
With potassium peroxomonosulfate; In methanol; water; at 0 - 20℃; for 15h; A. Preparation of 4-(ethylsulfonyl)benzoic acid To a stirring solution of 4-(ethylthio)benzoic acid (1 g, 5.5 mmol) in methanol (30 mL) at 0 C. under argon was added a solution of potassium peroxymonosulfate (6.8 g, 11 mmol) in water (30 mL). The resulted suspension was stirred at room temperature for 15 h. Methanol was evaporated under vacuum, the reaction mixture was diluted with water (30 mL), and the product was extracted with EtOAc (2*30 mL). The combined organic phase was washed with brine, dried (MgSO4), filtered and concentrated under reduced pressure to obtain 910 mg of title compound as a white solid. HPLC/MS: retention time=1.695 min, [M+H]+=215.
  • 2
  • [ 10130-89-9 ]
  • [ 13205-49-7 ]
  • 3
  • [ 1074-36-8 ]
  • [ 80-40-0 ]
  • [ 13205-49-7 ]
YieldReaction ConditionsOperation in experiment
43% With 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene; at 20℃; for 20h;Inert atmosphere; To a solution of ethyl 4-methylbenzenesulfonate (300 mg, 1.5 mmol, 1.0 eq.) in toluene (9 ml) were added 4-mercaptobenzoic acid (278 mg, 1.8 mmol, 1.2 eq.) and DBU (300 mul, 2.0 mmol, 1.3 eq.) and the mixture was stirred for 20 h at rt. The reaction was quenched with aq. sat NH4Cl (3 ml) and was diluted with H2O and CH2Cl2. The aqueous layer was extracted with CH2Cl2 (3 x 20 ml) and the combined organic layers were washed with brine, dried over Na2SO4 and concentrated under reduced pressure. Separation via column chromatography on silica gel (CyH/EtOAc 1:1) afforded the desired product as white solid (118 mg, 43%).
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