4-(4-Methylpiperazin-1-ylmethyl)phenylamine

Base Information

• Chemical Name: 4-(4-Methylpiperazin-1-ylmethyl)phenylamine
• CAS No.: 70261-82-4
• Molecular Formula: C12H19N3
• Molecular Weight: 205.303
• Hs Code.: 2933599090
• European Community (EC) Number: 810-436-0
• DSSTox Substance ID: DTXSID40390033
• Wikidata: Q72495631
• ChEMBL ID: CHEMBL1529116
• Mol file: 70261-82-4.mol

Synonyms:70261-82-4;4-(4-Methylpiperazin-1-ylmethyl)phenylamine;4-[(4-methylpiperazin-1-yl)methyl]aniline;4-((4-methylpiperazin-1-yl)methyl)aniline;4-(4-Methyl-piperazin-1-ylmethyl)-phenylamine;1-(4-Aminobenzyl)-4-methylpiperazine;MFCD03725418;4-(4-methyl-piperazin-1-ylmethyl)-aniline;4-(4-Methyl-piperazin-1-ylmethyl)phenylamine;4-[(4-methyl-1-piperazinyl)methyl]benzenamine;4-[(4-methyl-1-piperazinyl)methyl]benzeneamine;BAS 06348345;SCHEMBL55983;benzenamine, 4-[(4-methyl-1-piperazinyl)methyl]-;MLS000718555;CHEMBL1529116;DTXSID40390033;NIXCVBFXLJWUTC-UHFFFAOYSA-N;HMS2686E14;BCP19846;BBL030085;STK802405;AKOS000127634;1-Methyl-4-(4-Aminobenzyl)piperazine;AB15832;CS-W005018;4-(4-methylpiperazin-1-ylmethyl)aniline;DS-10208;SMR000290823;SY015148;AM20061152;BB 0253878;FT-0641280;1-methyl-4-[(4-aminophenyl)methyl]piperazine;4-(4-methylpiperazin-1-yl)methyl-phenylamine;EN300-38880;4-((4-methyl-piperazin-1-yl)-methyl)-aniline;A21608;SR-01000318692;J-513554;SR-01000318692-1;4-(4-methylpiperazin-1-ylmethyl)phenylamine, AldrichCPR;F2184-0037;Z239126536;4-((4-methylpiperazin-1-yl)methyl)benzenamine

Chemical Property of 4-(4-Methylpiperazin-1-ylmethyl)phenylamine

Chemical Property:

• Vapor Pressure: 0.000158mmHg at 25°C
• Boiling Point: 331.2 °C at 760 mmHg
• PKA: 7.65±0.10(Predicted)
• Flash Point: 152 °C
• PSA: 32.50000
• Density: 1.085 g/cm³
• LogP: 1.47320
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.157897619
• Heavy Atom Count: 15
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Methylpiperazin-1-ylmethyl)phenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CC2=CC=C(C=C2)N
• Uses: 4-(4-Methylpiperazin-1-ylmethyl)phenylamine is an intermediate used to prepare aminopyridopyrimidinones as tyrosine kinase inhibitors and anticancer agents. It is also used in the synthesis of piperazinyltrifluoromethylphenylquinolinylbenzonaphthyridinone derivatives with anticancer activities.

Technology Process of 4-(4-Methylpiperazin-1-ylmethyl)phenylamine

There total 11 articles about 4-(4-Methylpiperazin-1-ylmethyl)phenylamine 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%

4-(4-nitrobenzyl)-1-methylpiperazine (70261-81-3) → 4-[(4-methyl-1-piperazinyl)methyl]aniline (70261-82-4)

Guidance literature:

With platinum(IV) oxide; hydrogen; In ethanol; for 16h; under 2585.81 Torr;

DOI:10.1016/j.ejmech.2011.04.016

Reference yield: 83.0%

→ 4-[(4-methyl-1-piperazinyl)methyl]aniline (70261-82-4)

Guidance literature:

Reference yield: 53.0%

(4-aminophenyl)(4-methylpiperazin-1-yl)methanone (55121-99-8) → 4-[(4-methyl-1-piperazinyl)methyl]aniline (70261-82-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 3h; Reflux;

upstream raw materials:

4-(4-nitrobenzyl)-1-methylpiperazine

1-methyl-piperazine

1-bromomethyl-4-nitro-benzene

4-nitrobenzyl chloride

Downstream raw materials:

4-[(4-methylpiperazin-1-yl)methyl]phenol

[1-Biphenyl-4-yl-meth-(E)-ylidene]-[4-(4-methyl-piperazin-1-ylmethyl)-phenyl]-amine