1-(2-Methylphenyl)piperazine

Base Information

• Chemical Name: 1-(2-Methylphenyl)piperazine
• CAS No.: 39512-51-1
• Molecular Formula: C11H16N2
• Molecular Weight: 176.261
• Hs Code.: 29339900
• European Community (EC) Number: 254-481-9
• UNII: 6P26KQQ7V5
• DSSTox Substance ID: DTXSID00192651
• Nikkaji Number: J231.892J
• Wikipedia: Ortho-Methylphenylpiperazine
• Wikidata: Q48836121
• ChEMBL ID: CHEMBL9746
• Mol file: 39512-51-1.mol

Synonyms:1-(2-Methylphenyl)piperazine;39512-51-1;1-(o-Tolyl)piperazine;1-o-tolylpiperazine;Piperazine, 1-(2-methylphenyl)-;2-Methylphenylpiperazine;4-(2-Methylphenyl)piperazine;1-(2-Methylphenyl)-piperazine;o-tolylpiperazine;2-Mepp;1-o-Tolyl-piperazine;ortho-Methylphenylpiperazine;CHEMBL9746;6P26KQQ7V5;EINECS 254-481-9;MFCD00040729;1-(2-tolyl)piperazine;N-(o-tolyl)-piperazine;1-(o-tolyl) piperazine;2-methylphenyl-piperazine;Maybridge4_000133;SCHEMBL4896;UNII-6P26KQQ7V5;O-METHYLPHENYLPIPERAZINE;1-(2-methyl-phenyl)-piperazine;DTXSID00192651;BDBM50001903;PDSP1_000005;PDSP2_000005;STL169115;AKOS000101164;FS-1234;IDI1_030715;FT-0605845;T3404;EN300-40735;A824590;L000837;J-503047;F1905-7188

Chemical Property of 1-(2-Methylphenyl)piperazine

Chemical Property:

• Appearance/Colour: off-white crystalline powder or crystals
• Vapor Pressure: 0.00104mmHg at 25°C
• Melting Point: 48-52 °C
• Refractive Index: 1.54
• Boiling Point: 301.63 °C at 760 mmHg
• PKA: 8.95±0.10(Predicted)
• Flash Point: 138.78 °C
• PSA: 15.27000
• Density: 1.013 g/cm³
• LogP: 1.79840
• Solubility.: soluble in Methanol
• XLogP3: 2.2
• 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:

99% ^*data from raw suppliers

1-(2-Methylphenyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-20/21/22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1N2CCNCC2

Technology Process of 1-(2-Methylphenyl)piperazine

There total 19 articles about 1-(2-Methylphenyl)piperazine 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: 100.0%

→ 1-(o-toluyl)piperazine (39512-51-1) + 2-[3-[4-(o-tolyl)piperazin-1-yl]propyl]isoindoline-1,3-dione (102391-89-9)

Guidance literature:

Reference yield: 94.0%

1-(2-methylphenyl)piperazine hydrochloride (95356-15-3) → 1-(o-toluyl)piperazine (39512-51-1)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 0.5h; pH=11 - 12;

DOI:10.1111/cbdd.13324

Reference yield: 93.0%

piperazine (110-85-0) + 2-methylchlorobenzene (95-49-8) → 1-(o-toluyl)piperazine (39512-51-1)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2-dicyclohexylphosphino-2′,6′-di-i-propoxy-1,1′-biphenyl; sodium t-butanolate; In 1,4-dioxane; at 100 ℃; for 0.166667h; Temperature;

DOI:10.1021/acs.orglett.6b02591

upstream raw materials:

methanol

bis(2-bromoethyl)amine hydrobromide

o-toluidine

butan-1-ol

Downstream raw materials:

1-methoxy-3-(4-o-tolyl-piperazino)-propan-2-ol

1-phenylsulfanyl-3-(4-o-tolyl-piperazin-1-yl)-propan-2-ol

1-acetyl-4-o-tolyl-piperazine

1-phenylthioacetyl-4-o-tolyl-piperazine

Refernces

• 1、 -. "PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES". Paragraph 0064-0065; 0088-0089. . Retrieved 2019/09/01.
• 2、 Reilly, Sean W.,Mach, Robert H.. "Pd-Catalyzed Synthesis of Piperazine Scaffolds under Aerobic and Solvent-Free Conditions". supporting information. p. 5272 - 5275. Retrieved 2016/10/31.