2-[(4-Methyl-1-piperazinyl)methyl]benzonitrile | CAS No. 864069-00-1

2-[(4-Methyl-1-piperazinyl)methyl]benzonitrile

Basic Information

CAS Number

864069-00-1

Molecular Formula

C13H17N3

Molecular Weight

17.03 g/mol

AD

Basic Physical Properties

CN1CCN(CC1)CC2=CC=CC=C2C#N

InChI

InChI=1S/C13H17N3/c1-15-6-8-16(9-7-15)11-13-5-3-2-4-12(13)10-14/h2-5H,6-9,11H2,1H3

InChIKey

SZENQRLSNAOEPP-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Ų

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

260

Synonyms & References

English

  • 2-((4-methylpiperazin-1-yl)methyl)benzonitrile
  • 2-[(4-Methylpiperazin-1-yl)methyl]benzonitrile
  • FT-0763528
  • Benzonitrile,2-[(4-methyl-1-piperazinyl)methyl]-
  • 2-((4-methylpiperazin-1-yl)methyl)benzonitrile? (Imatinib Impurity pound(c)
  • Z54753214
  • AKOS000196646
  • MS-22419
  • J-505246
  • 864069-00-1
  • CS-0163911
  • A850545
  • SCHEMBL2228476
  • MFCD08271956
  • DTXSID90594569
  • 2-((4-Methylpiperazin-1-yl)methyl)benzonitrile
  • 2-[(4-Methyl-1-Piperazinyl)Methyl]-Benzonitrile
  • Imatinib impurity 13

MDL Number

MFCD08271956

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 2-[(4-Methyl-1-piperazinyl)methyl]benzonitrile (CAS: 864069-00-1)?

2-[(4-Methyl-1-piperazinyl)methyl]benzonitrile is a colorless to light yellow liquid with a molecular weight of approximately 248.22 g/mol. It has a density of about 1.08 g/cm³ and a boiling point of around 245°C. The compound is slightly soluble in water but miscible with organic solvents. It is moderately reactive, particularly towards nucleophiles, and can undergo various reaction types such as addition and substitution reactions.

How is 2-[(4-Methyl-1-piperazinyl)methyl]benzonitrile (CAS: 864069-00-1) typically synthesized?

2-[(4-Methyl-1-piperazinyl)methyl]benzonitrile is synthesized via a multi-step process involving the reaction of 4-methylpiperazine with benzonitrile followed by alkylation. Commonly, the reaction is performed under basic conditions using sodium hydrogen carbonate as a catalyst. The yield is typically around 75-85%, and the product is isolated by conventional techniques such as column chromatography.

What industries use 2-[(4-Methyl-1-piperazinyl)methyl]benzonitrile (CAS: 864069-00-1)?

2-[(4-Methyl-1-piperazinyl)methyl]benzonitrile is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those requiring specific functional groups. It is also utilized in the polymer industry for enhancing the properties of certain polymers. Additionally, it finds application in the production of sensors and semiconductors, where its unique chemical properties are advantageous.

What precautions should be taken when handling 2-[(4-Methyl-1-piperazinyl)methyl]benzonitrile (CAS: 864069-00-1)?

Handling 2-[(4-Methyl-1-piperazinyl)methyl]benzonitrile requires appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using absorbent material and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...