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Chemical Structure| 121-60-8 Chemical Structure| 121-60-8

Structure of 121-60-8

Chemical Structure| 121-60-8

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Product Details of [ 121-60-8 ]

CAS No. :121-60-8
Formula : C8H8ClNO3S
M.W : 233.67
SMILES Code : O=S(C1=CC=C(NC(C)=O)C=C1)(Cl)=O
MDL No. :MFCD00007442
InChI Key :GRDXCFKBQWDAJH-UHFFFAOYSA-N
Pubchem ID :8481

Safety of [ 121-60-8 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314-H335
Precautionary Statements:P261-P280-P305+P351+P338-P310
Class:8
UN#:3261
Packing Group:

Application In Synthesis of [ 121-60-8 ]

* 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.

  • Upstream synthesis route of [ 121-60-8 ]
  • Downstream synthetic route of [ 121-60-8 ]

[ 121-60-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 1072-67-9 ]
  • [ 121-60-8 ]
  • [ 21312-10-7 ]
YieldReaction ConditionsOperation in experiment
59% at 20℃; for 12 h; A mixture of 4-acetamidobenzene-1-sulfonyl chloride (4.27 mmol), 5-methylisoxazol-3-amine (4.49 mmol) and DMAP (0.21 mmol) in anhydrous pyridine (10 mL) was stirred at room temperature for 12 h.
After completion of reaction, solvent was evaporated to dryness and diluted with water and extracted with ethyl acetate.
The combined organic layers were washed with water and 1 M aqueous HCl, dried over anhydrous Na2SO4, filtered, and concentrated under vacuum.
The solid residue obtained was purified with flash column chromatography using heptanes to EtOAc (50-100percent) gradient elution to afford the compound 2. 4.2.1
N-(4-(N-(5-Methylisoxazol-3-yl)sulfamoyl)phenyl)acetamide (2)
Yield: 59percent; ESIMS m/z calcd for C12H13N3O4S [M + H]+, 296.07; found 296.06; 1H NMR (400 MHz, (CD3)2SO): δ 11.30 (bs, 1H), 10.35 (bs, 1H), 7.79-7.73 (m, 4H), 6.12 (s, 1H), 2.29 (s, 3H), 2.07 (s, 3H).
13C (100 MHz, (CD3)2SO): δ 170.71, 169.57, 158.07, 144.01, 133.36, 128.50, 119.15, 95.84, 24.57, 12.48.
References: [1] ACS Medicinal Chemistry Letters, 2014, vol. 5, # 1, p. 12 - 17.
[2] European Journal of Medicinal Chemistry, 2015, vol. 101, p. 595 - 603.
[3] Shionogi Kenkyusho Nenpo, 1957, # 7, p. 301,304[4] Chem.Abstr., 1957, p. 17889.
[5] Patent: US2888455, 1957, , .
[6] Crystal Growth and Design, 2013, vol. 13, # 9, p. 4002 - 4016.
[7] Patent: CN105884705, 2016, A, . Location in patent: Paragraph 0013; 0016; 0021; 0026; 0031.
 

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