3-(4-Methylpiperazin-1-yl)phenol

Base Information

• Chemical Name: 3-(4-Methylpiperazin-1-yl)phenol
• CAS No.: 177489-10-0
• Molecular Formula: C11H16N2O
• Molecular Weight: 192.261
• DSSTox Substance ID: DTXSID10451862
• Nikkaji Number: J3.315.965J
• Wikidata: Q82272128
• ChEMBL ID: CHEMBL1180517
• Mol file: 177489-10-0.mol

Synonyms:3-(4-methylpiperazin-1-yl)phenol;177489-10-0;SCHEMBL1039861;CHEMBL1180517;DTXSID10451862;AISHPJPGKBKMGV-UHFFFAOYSA-N;3-(4-methyl-1-piperazinyl)phenol;3-(1-Methylpiperazine-4-yl)phenol;AKOS015917616;FT-0657883;A812266;A1-09658

Chemical Property of 3-(4-Methylpiperazin-1-yl)phenol

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=CC(=CC=C2)O

Technology Process of 3-(4-Methylpiperazin-1-yl)phenol

There total 7 articles about 3-(4-Methylpiperazin-1-yl)phenol 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: 96.0%

3-(4-methylpiperazin-1-yl)aniline (148546-99-0) → 1-(3'-hydroxyphenyl)-4-methylpiperazine (177489-10-0)

Guidance literature:

With sulfuric acid; sodium nitrite; In water; at 0 - 70 ℃; for 18h; Temperature;

Reference yield: 88.0%

1-N-(3'-methoxyphenyl)-4-N-methyl-1-4-diaza-cyclohexane (57318-64-6) → 1-(3'-hydroxyphenyl)-4-methylpiperazine (177489-10-0)

Guidance literature:

With 40percent aq. HBr; at 100 ℃; for 60h;

DOI:10.1021/jm010901y

Reference yield: 70.0%

1-methyl-piperazine (109-01-3) + 3-monochlorophenol (108-43-0) → 1-(3'-hydroxyphenyl)-4-methylpiperazine (177489-10-0)

Guidance literature:

With lithium hexamethyldisilazane; sodium t-butanolate; In toluene; at 110 ℃; for 20h; Inert atmosphere; Sealed vial;

DOI:10.1002/chem.200902316

upstream raw materials:

1-N-(3'-methoxyphenyl)-4-N-methyl-1-4-diaza-cyclohexane

1,1-dimethylethyl 4-(3-hydroxyphenyl)-1-piperazinecarboxylate

3-(piperazin-1-yl)phenol

1-methyl-piperazine

Downstream raw materials:

C₂₄H₃₃N₃O₂

3-Ethyl-4-[3-(4-methyl-piperazin-1-yl)-phenoxy]-pyridine-2-carbonitrile

1-[3-(3-Ethyl-4-iodo-pyridin-2-yloxy)-phenyl]-4-methyl-piperazine