4-(4-Methylpiperazin-1-yl)benzonitrile

Base Information

• Chemical Name: 4-(4-Methylpiperazin-1-yl)benzonitrile
• CAS No.: 34334-28-6
• Molecular Formula: C12H15N3
• Molecular Weight: 201.271
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30354088
• Nikkaji Number: J1.186.427I
• Wikidata: Q72495578
• Mol file: 34334-28-6.mol

Synonyms:4-(4-methylpiperazin-1-yl)benzonitrile;34334-28-6;4-(4-Methylpiperazino)benzonitrile;4-(4-methyl-piperazin-1-yl)benzonitrile;Benzonitrile, 4-(4-methyl-1-piperazinyl)-;RXJ;SCHEMBL151261;DTXSID30354088;ZSDPKKGOSKXEHN-UHFFFAOYSA-N;CS-B1832;CL1610;MFCD03546779;STK351207;AKOS000218459;DS-2627;FS-2094;4-(4-methyl-1-piperazinyl)benzonitrile;NCGC00335756-01;AC-23222;FT-0687660;EN300-230957;AB01328514-02;SR-01000317604;SR-01000317604-1

Chemical Property of 4-(4-Methylpiperazin-1-yl)benzonitrile

Chemical Property:

• Vapor Pressure: 2.91E-05mmHg at 25°C
• Melting Point: 104-105 ºC
• Refractive Index: 1.598
• Boiling Point: 356.5 °C at 760 mmHg
• Flash Point: 156.7 °C
• PSA: 30.27000
• Density: 1.14 g/cm³
• LogP: 1.31298
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 201.126597491
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Methylpiperazin-1-yl)benzonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=CC=C(C=C2)C#N

Technology Process of 4-(4-Methylpiperazin-1-yl)benzonitrile

There total 12 articles about 4-(4-Methylpiperazin-1-yl)benzonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

1-methyl-piperazine (109-01-3) + 4-fluorobenzonitrile (1194-02-1,143234-87-1) → 4-(4-methylpiperazin-1-yl)benzonitrile (34334-28-6)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 90 ℃; for 8h;

DOI:10.1021/jm050765n

Reference yield: 93.0%

[4-(4-methyl-piperazin-1-yl)-phenyl]-methanol (342405-34-9) → 4-(4-methylpiperazin-1-yl)benzonitrile (34334-28-6)

Guidance literature:

With 2,3'-bipyridine; ammonium hydroxide; copper(l) iodide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen; In ethanol; at 20 ℃; for 24h;

DOI:10.1021/ol400459y

Reference yield: 89.0%

4-(4-methylpiperazin-1-yl) benzaldehyde (27913-99-1) → 4-(4-methylpiperazin-1-yl)benzonitrile (34334-28-6)

Guidance literature:

With ammonium sulfate; sodium carbonate; sulfur; In dimethyl sulfoxide; at 120 ℃; for 10h; Sealed tube;

upstream raw materials:

1-methyl-piperazine

4-Cyanochlorobenzene

formaldehyd

N-(4-cyanophenyl)piperazine

Downstream raw materials:

(4-(4-methylpiperazin-1-yl)phenyl)methanamine

4-(4-methylpiperazin-1-yl)benzothioamide

2-[4-(4-methylpiperazin-1-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C₂₉H₃₄ClN₇O₃S