1-(2-Methylbenzyl)piperazine

Base Information

• Chemical Name: 1-(2-Methylbenzyl)piperazine
• CAS No.: 5321-47-1
• Molecular Formula: C12H18 N2
• Molecular Weight: 190.288
• Hs Code.: 2933599090
• European Community (EC) Number: 226-183-9
• DSSTox Substance ID: DTXSID80201290
• Nikkaji Number: J298.001K
• Wikidata: Q83074468
• ChEMBL ID: CHEMBL1622338
• Mol file: 5321-47-1.mol

Synonyms:1-(2-Methylbenzyl)piperazine;5321-47-1;1-[(2-methylphenyl)methyl]piperazine;EINECS 226-183-9;1-(2-Methyl-benzyl)-piperazine;1-(2-Methylbenzyl)-piperazine;2-methylbenzylpiperazine;SCHEMBL593284;1-(2-Methyl-benzyl)piperazine;CHEMBL1622338;DTXSID80201290;MFCD02256026;STK299973;1-(2-Methylbenzyl)piperazine, 97%;AKOS000264467;NCGC00245295-01;AS-11226;Piperazine, 1-((2-methylphenyl)methyl)-;BB 0249429;EN300-11531;A872687;A914492;Z57046234

Chemical Property of 1-(2-Methylbenzyl)piperazine

Chemical Property:

• Vapor Pressure: 0.00168mmHg at 25°C
• Refractive Index: n20/D 1.5430(lit.)
• Boiling Point: 293.8°Cat760mmHg
• PKA: 9.14±0.10(Predicted)
• Flash Point: 122°C
• PSA: 15.27000
• Density: 1.011g/cm³
• LogP: 1.66690
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Methylbenzyl)piperazine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CN2CCNCC2

Technology Process of 1-(2-Methylbenzyl)piperazine

There total 7 articles about 1-(2-Methylbenzyl)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: 82.0%

piperazine (110-85-0) + 1-chloromethyl-2-methylbenzene (552-45-4) → 1-(2-methylbenzyl)piperazine (5321-47-1)

Guidance literature:

In tetrahydrofuran; for 4h; Reflux; Inert atmosphere;

DOI:10.1016/j.bmc.2020.115401

Reference yield: 58.0%

piperazine (110-85-0) + 2-methylbenzyl bromide (89-92-9) → 1-(2-methylbenzyl)piperazine (5321-47-1)

Guidance literature:

In dichloromethane; at 20 ℃; for 16h;

DOI:10.1021/acsmedchemlett.9b00430

Reference yield:

C20H24N2O2 → 1-(2-methylbenzyl)piperazine (5321-47-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h;

DOI:10.1007/s11030-020-10158-3

upstream raw materials:

piperazine

2-methylbenzyl bromide

piperazine hydrochloride

1-chloromethyl-2-methylbenzene

Downstream raw materials:

1-[3-(2-chloro-benzhydryloxy)-propyl]-4-(2-methyl-benzyl)-piperazine

lithium phenylacetylide

(S)-2-((1-(benzylsulfonyl)pyrrolidin-3-yl)amino)-1-(4-(2-methylbenzyl)piperazin-1-yl)ethanone

2-chloro-1-(4-(2-methylbenzyl)piperazin-1-yl)ethanone