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885126-34-1

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885126-34-1 Structure

885126-34-1 Structure
IdentificationBack Directory
[Name]

BenzaMide, 2-[(3-iodo-1H-indazol-6-yl)thio]-N-Methyl-
[CAS]

885126-34-1
[Synonyms]

Axitinib Impurity f
Axitinib impurity H
2-(3-iodo-1H-indazol-6-ylthio)-N-MethylbenzaMide
BenzaMide, 2-[(3-iodo-1H-indazol-6-yl)thio]-N-Methyl-
2-[(3-iodo-2H-indazol-6-yl)sulfanyl]-N-methylbenzamide
2-[(3-Iodo-1H-indazol-6-yl)sulfanyl]-N-methylbenzamide
Axitinib Impurity 2/2-[(3-iodo-2H-indazol-6-yl)sulfanyl]-N-methylbenzamide
[Molecular Formula]

C15H12IN3OS
[MDL Number]

MFCD13183042
[MOL File]

885126-34-1.mol
[Molecular Weight]

409.24
Chemical PropertiesBack Directory
[Boiling point ]

613.9±45.0 °C(Predicted)
[density ]

1.80±0.1 g/cm3(Predicted)
[pka]

11.06±0.40(Predicted)
[InChI]

InChI=1S/C15H12IN3OS/c1-17-15(20)11-4-2-3-5-13(11)21-9-6-7-10-12(8-9)18-19-14(10)16/h2-8H,1H3,(H,17,20)(H,18,19)
[InChIKey]

VHZLHFNNNDGPLF-UHFFFAOYSA-N
[SMILES]

C(NC)(=O)C1=CC=CC=C1SC1=CC2=C(C=C1)C(I)=NN2
Safety DataBack Directory
[HS Code ]

2933998090
Hazard InformationBack Directory
[Description]

2-[(3-Iodo-1H-indazol-6-yl)sulfanyl]-N-methylbenzamide is a palladium catalyst for the synthesis of 2-[(3-iodo-1H-indazol-6-yl)sulfanyl]benzoic acid from 3,4 dinitrobenzoyl chloride and 1,2 dimethoxyethane. The reaction proceeds via a nucleophilic substitution reaction with the sulfonyl halide. The Iodo group can be replaced by other groups such as bromine, chlorine or fluorine in order to synthesize different derivatives of the compound.
[Synthesis]

Synthetic Route:

BenzaMide, 2-[(3-iodo-1H-indazol-6-yl)thio]-N-Methyl-
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