3-Methyl-4-(3-methylphenyl)piperazin-1-ium

Base Information

• Chemical Name: 3-Methyl-4-(3-methylphenyl)piperazin-1-ium
• CAS No.: 35947-10-5
• Molecular Formula: C12H18 N2
• Molecular Weight: 190.288
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90957357
• Wikidata: Q82937680
• Mol file: 35947-10-5.mol

Synonyms:DTXSID90957357;3-Methyl-4-(3-methylphenyl)piperazin-1-ium

Chemical Property of 3-Methyl-4-(3-methylphenyl)piperazin-1-ium

Chemical Property:

• Vapor Pressure: 0.00021mmHg at 25°C
• Refractive Index: 1.566-1.568
• Boiling Point: 326.9°Cat760mmHg
• Flash Point: 147.4°C
• PSA: 15.27000
• Density: 0.98g/cm³
• LogP: 2.18690
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 191.154823615
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

2-methyl-1-(3-methylphenyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C[NH2+]CCN1C2=CC=CC(=C2)C
• Isomeric SMILES: C[C@@H]1C[NH2+]CCN1C2=CC=CC(=C2)C

Technology Process of 3-Methyl-4-(3-methylphenyl)piperazin-1-ium

There total 1 articles about 3-Methyl-4-(3-methylphenyl)piperazin-1-ium 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:

→ 2-methyl-1-(3-methylphenyl)piperazine (35947-10-5)

Guidance literature:

Reference yield: 88.0%

5α,6β-epoxy-4,8α,7α(H)-eudesm-11(13)-en-8,12-olide (107439-71-4,65563-75-9) + 2-methyl-1-(3-methylphenyl)piperazine (35947-10-5) → C27H38N2O3

Guidance literature:

In methanol; at 20 ℃; for 24h; regioselective reaction;

DOI:10.1134/S1068162018040155

Reference yield: 85.0%

isoalantolactone (470-17-7) + 2-methyl-1-(3-methylphenyl)piperazine (35947-10-5) → (3R,3aR,4aS,8aR,9aR)-8a-methyl-5-methylidene-3-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl}decahydronaphtho[2,3-b]furan-2-one

Guidance literature:

In methanol; at 20 ℃; for 12h;

DOI:10.1007/s10600-019-02611-z

Downstream raw materials:

2-Methyl-4-(3-nitro-pyridin-4-yl)-1-m-tolyl-piperazine

4-(3-Methyl-4-m-tolyl-piperazin-1-yl)-pyridin-3-ylamine

5-Amino-2-(2-furyl)-8-[3-methyl-4-(3-methylphenyl)piperazin-1-ylmethyl][1,2,4]triazolo[1,5-c]pyrimidine

4-(3-(1-tert-butyl-5-(4-chlorophenyl)-1H-pyrazol-3-yl)propyl)-2-methyl-1-m-tolylpiperazine

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