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Chemical Structure| 112811-90-2 Chemical Structure| 112811-90-2
Chemical Structure| 112811-90-2

2-(Benzylthio)nicotinic acid

CAS No.: 112811-90-2

4.5 *For Research Use Only !

Cat. No.: A524524 Purity: 98%

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Product Details of [ 112811-90-2 ]

CAS No. :112811-90-2
Formula : C13H11NO2S
M.W : 245.30
SMILES Code : O=C(O)C1=C(SCC2=CC=CC=C2)N=CC=C1
MDL No. :MFCD00661380
InChI Key :OJNZDGDYAXCHPB-UHFFFAOYSA-N
Pubchem ID :757779

Safety of [ 112811-90-2 ]

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

Application In Synthesis of [ 112811-90-2 ]

* 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 [ 112811-90-2 ]

[ 112811-90-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 112811-90-2 ]
  • [ 112811-91-3 ]
  • [ 112006-57-2 ]
YieldReaction ConditionsOperation in experiment
52.1 parts (93.9%) With thionyl chloride; dimethyl amine; In water; ethyl acetate; EXAMPLE 5 N,N-Dimethyl-2-(phenylmethylthio)-3-pyridinecarboxamide A mixture of 29.7 parts of thionylchloride, 50.0 parts of 2-(phenylmethylthio)-3-pyridinecarboxylic acid, and 225 parts of ethyl acetate was refluxed for 1.6 hours. The resulting solution of 2-(phenylmethylthio)-3-pyridinecarbonyl chloride was cooled to 5 C. While maintaining the temperature at approximately 10 C., 70 parts of 40% dimethylamine in water were added. The pH was adjusted to 4.0 with 36% HCl and the lower aqueous layer was decanted. Water was added to the ethyl acetate layer and the resulting mixture was distilled until the ethyl acetate was removed. After cooling and seeding, N,N-dimethyl-2-(phenylmethylthio)-3-pyridinecarboxamide was recovered by filtration, washed with water, and dried. This gave 52.1 parts (93.9%), melting point 61-63 C.
 

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