N-(4-Methyl-3-aminophenyl)-4-(4-methylpiperazinomethyl)benzamide

Base Information

• Chemical Name: N-(4-Methyl-3-aminophenyl)-4-(4-methylpiperazinomethyl)benzamide
• CAS No.: 581076-63-3
• Molecular Formula: C₂₀H₂₆N₄O
• Molecular Weight: 338.453
• ChEMBL ID: CHEMBL4745174
• DSSTox Substance ID: DTXSID30470878
• Wikidata: Q82299077
• Mol file: 581076-63-3.mol

Synonyms:581076-63-3;N-(4-METHYL-3-AMINOPHENYL)-4-(4-METHYLPIPERAZINOMETHYL)BENZAMIDE;N-(3-amino-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide;N-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;FXJLDIHKTIMSKR-UHFFFAOYSA-N;N-(3-Amino-4-methyl-phenyl)-4-(4-methyl-piperazin-1-yl)-benzamide;SCHEMBL846560;CHEMBL4745174;DTXSID30470878;FT-0671478;N-(3-amino-4-methyl-phenyl)-4-(4-methyl-piperazin-1-ylmethyl)-benzamide;N-(3-amino-4-methyl-phenyl)4-(4-methyl-piperazin-1-ylmethyl)-benzamide;N-(3-amino-4-methylphenyl)-4-(4-methylpiperazin-1-ylmethyl)benzamide

Chemical Property of N-(4-Methyl-3-aminophenyl)-4-(4-methylpiperazinomethyl)benzamide

Chemical Property:

• Boiling Point: 454.2±45.0 °C(Predicted)
• PKA: 13.35±0.70(Predicted)
• PSA: 61.60000
• Density: 1.190±0.06 g/cm3(Predicted)
• LogP: 3.10690
• Solubility.: Chloroform
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 338.21066147
• Heavy Atom Count: 25
• Complexity: 427

Purity/Quality:

99% ^*data from raw suppliers

N-(4-Methyl-3-aminophenyl)-4-(4-methylpiperazinomethyl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)N
• Uses: N-(4-Methyl-3-aminophenyl)-4-(4-methylpiperazinomethyl)benzamide (cas# 581076-63-3) is a compound useful in organic synthesis.

Technology Process of N-(4-Methyl-3-aminophenyl)-4-(4-methylpiperazinomethyl)benzamide

There total 12 articles about N-(4-Methyl-3-aminophenyl)-4-(4-methylpiperazinomethyl)benzamide 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%

N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiprazin-1-yl)methyl]benzamide (581076-60-0) → N-(3-amino-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide (581076-63-3)

Guidance literature:

With acetic acid; zinc; In ethyl acetate; at 20 ℃; for 1.33333h;

DOI:10.1021/acs.jmedchem.6b00087

Reference yield: 80.0%

4-[(4-methylpiperazin-1-yl)methyl]bromobenzene (368879-17-8) + carbon monoxide (201230-82-2) + 4-methylbenzene-1,3-diamine (95-80-7,71111-07-4) → N-(3-amino-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide (581076-63-3)

Guidance literature:

With potassium carbonate; 1,1'-bis-(diphenylphosphino)ferrocene; Palladacycle; In 1,4-dioxane; at 130 ℃; for 6h; under 6000.6 Torr;

Reference yield: 75.0%

4-methylbenzene-1,3-diamine (95-80-7,71111-07-4) + 4-((4-methylpiperazin-1-yl)methyl)-benzoic acid methyl ester (314268-40-1) → N-(3-amino-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide (581076-63-3)

Guidance literature:

With aluminum (III) chloride; In toluene; acetonitrile; at 40 ℃; for 8.5h; Inert atmosphere;

upstream raw materials:

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

carbon monoxide

4-methylbenzene-1,3-diamine

1-methyl-piperazine