3-Methyl-1-phenylpiperazine

Base Information

• Chemical Name: 3-Methyl-1-phenylpiperazine
• CAS No.: 72615-78-2
• Molecular Formula: C11H16 N2
• Molecular Weight: 176.261
• Hs Code.: 2933599090
• European Community (EC) Number: 836-598-2
• Nikkaji Number: J1.789.628H
• Mol file: 72615-78-2.mol

Synonyms:3-METHYL-1-PHENYLPIPERAZINE;72615-78-2;Piperazine,3-methyl-1-phenyl-;SCHEMBL4246315;MFCD06804051;AKOS003655948;AT25535;SY147817;BB 0220802;FT-0647254;EN300-124592

Chemical Property of 3-Methyl-1-phenylpiperazine

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.526
• Boiling Point: 293.706°C at 760 mmHg
• Flash Point: 132.611°C
• PSA: 15.27000
• Density: 0.992g/cm³
• LogP: 1.87850
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.131348519
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

98%min ^*data from raw suppliers

3-METHYL-1-PHENYLPIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1)C2=CC=CC=C2

Technology Process of 3-Methyl-1-phenylpiperazine

There total 2 articles about 3-Methyl-1-phenylpiperazine 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: 66.0%

(RS)-2-methylpiperazine (109-07-9) + chlorobenzene (108-90-7) → 3-methyl-1-phenylpiperazine (72615-78-2)

Guidance literature:

(RS)-2-methylpiperazine; With [2,2]bipyridinyl; nickel diacetate; sodium hydride; tert-Amyl alcohol; In tetrahydrofuran; at 65 ℃; for 2h;

chlorobenzene; With styrene; In tetrahydrofuran; at 65 ℃; for 9h;

DOI:10.1016/S0040-4020(02)00750-0

Reference yield:

→ 3-methyl-1-phenylpiperazine (72615-78-2)

Guidance literature:

5-Methyl-1-phenyl-2-piperazinon (IV), LiAlH4;

Reference yield: 95.0%

5-(1,3-benzodioxol-5-yl)isoxazole-3-carboxylic acid (668971-47-9) + 3-methyl-1-phenylpiperazine (72615-78-2) → (5-(benzo[d][1,3]dioxol-5-yl)isoxazol-3-yl)(2-methyl-4-phenylpiperazin-1-yl)methanone

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 15 ℃; for 12h;

upstream raw materials:

(RS)-2-methylpiperazine

chlorobenzene

Refernces