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Chemical Structure| 921222-14-2 Chemical Structure| 921222-14-2

Structure of 921222-14-2

Chemical Structure| 921222-14-2

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Product Details of [ 921222-14-2 ]

CAS No. :921222-14-2
Formula : C10H14N2O2S
M.W : 226.30
SMILES Code : O=C(OCC)C1=C(SC)C=CC(N)=C1N
MDL No. :N/A
InChI Key :LXMLCUJUAQTLDY-UHFFFAOYSA-N
Pubchem ID :68445198

Safety of [ 921222-14-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H332
Precautionary Statements:P280

Application In Synthesis of [ 921222-14-2 ]

* 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 [ 921222-14-2 ]

[ 921222-14-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 921222-14-2 ]
  • [ 6590-97-2 ]
  • [ 921222-15-3 ]
YieldReaction ConditionsOperation in experiment
To a solution of <strong>[921222-14-2]2,3-diamino-6-methylsulfanyl-benzoic acid ethyl ester</strong> (150 mg) in acetonitrile (10 mL) are added 2,3-dichlorophenyl isothiocyanate (98 muL). The reaction mixture obtained is stirred 1 hour at RT and N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydro-chloride (EDCI, 166 mg) is added. The mixture obtained is cooled to RT, quenched with H2O and extracted with EtOAc. The organic layers obtained are combined, dried over MgSO4, filtrated and solvent is evaporated to afford the title compound (LC/MS Rt=3.55, [M]+=395.93 and 397.89 and 399.89).
  • 2
  • [ 921222-13-1 ]
  • [ 921222-14-2 ]
YieldReaction ConditionsOperation in experiment
To a stirred solution of 2-amino-6-methylsulfanyl-3-nitro-benzoic acid ethyl ester (164 mg) in EtOH (15 mL) is added SnCb anhydrous (557 mg) and the reaction mixture obtained is heated to 700C for 16 hours. After cooling to Rt, solvent is evaporated and the residue obtained is dissolved in H2O treated with 40% aq. NaOH to pH 12 and extracted with CH2Cl2. The organic layers obtained are combined, dried over MgSO4, filtrated and solvent is evaporated to afford the title compound (LC/MS Rt=2.19, [M+ 1=227.1).
 

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