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5-Amino-2-(4-methyl-1-piperazinyl)benzonitrile

5-Amino-2-(4-methyl-1-piperazinyl)benzonitrile structure

5-Amino-2-(4-methyl-1-piperazinyl)benzonitrile 

structure
  • CAS No:

    288251-82-1

  • Formula:

    C12H16N4

  • Chemical Name:

    5-Amino-2-(4-methyl-1-piperazinyl)benzonitrile

  • Synonyms:

    Benzonitrile,5-amino-2-(4-methyl-1-piperazinyl)-;5-Amino-2-(4-methyl-1-piperazinyl)benzonitrile;5-Amino-2-(4-methylpiperazin-1-yl)benzonitrile

  • Categories:

    Chemical Reagents  >  Organic Reagents

5-Amino-2-(4-methyl-1-piperazinyl)benzonitrile Basic Attributes

216.28224

216.28

DTXSID30589878

2933599090

Characteristics

56.3

0.9

Safety Information

IRRITANT

5-Amino-2-(4-methyl-1-piperazinyl)benzonitrile Use and Manufacturing

N-[3-cyano-4-(4-methylpiperazin-1-yl)phenyl]benzo[b]thiophene-2-carboxamide By the reaction and treatment in the same manner as in Example 6 using benzo[b]thiophene-2-carboxylic acid (1.3 g) and STARTING MATERIAL SYNTHETIC EXAMPLE 8 General procedure: Step-2 : A mixture of the nitro compund from Step-1 ( 1.0 eq) and Pd-C (10percent, 1.2eq) in EtOH (50 mL) was hydrogenated for 3 hours under H2 balloon pressure. The mixture was filtered through celite and the filter cake was washed with EtOH (2 x 10 mL). The filtrate was concentrated under vacuum to give the product in quantitative yield. The product was taken to next step with out further purification. 5-Amino-2-(4-(methylsulfonyl)piperazin-l-yl)benzonitrile: Synthesized as described in Step-2. Yield = 90percent

Computed Properties

Molecular Weight:216.28
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:216.137496527
Monoisotopic Mass:216.137496527
Topological Polar Surface Area:56.3
Heavy Atom Count:16
Complexity:274
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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