Benzaldehyde, 2-hydroxy-5-methyl-3-[(4-methyl-1-piperazinyl)methyl]-

Base Information

• Chemical Name: Benzaldehyde, 2-hydroxy-5-methyl-3-[(4-methyl-1-piperazinyl)methyl]-
• CAS No.: 155454-68-5
• Molecular Formula: C₁₄H₂₀N₂O₂
• Molecular Weight: 248.325
• DSSTox Substance ID: DTXSID30434970
• Nikkaji Number: J2.017.972D
• Wikidata: Q82249601
• Mol file: 155454-68-5.mol

Synonyms:155454-68-5;Benzaldehyde, 2-hydroxy-5-methyl-3-[(4-methyl-1-piperazinyl)methyl]-;2-hydroxy-5-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzaldehyde;DTXSID30434970;2-Hydroxy-5-methyl-3-[(4-methylpiperazine-1-yl)methyl]benzaldehyde

Chemical Property of Benzaldehyde, 2-hydroxy-5-methyl-3-[(4-methyl-1-piperazinyl)methyl]-

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 248.152477885
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C=O)O)CN2CCN(CC2)C

Technology Process of Benzaldehyde, 2-hydroxy-5-methyl-3-[(4-methyl-1-piperazinyl)methyl]-

There total 1 articles about Benzaldehyde, 2-hydroxy-5-methyl-3-[(4-methyl-1-piperazinyl)methyl]- 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:

1-methyl-piperazine (109-01-3) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-hydroxy-5-methylbenzaldehyde (613-84-3) → 2-Formyl-4-methyl-6-<(4-methylpiperazin-1-yl)methyl>phenol (155454-68-5)

Guidance literature:

1.) 80 deg C, 1 h, 2.) MeOH, reflux, 20 h;

DOI:10.1021/jo00087a046

Reference yield: 36.0%

pyrrolidine (123-75-1) + 2-Formyl-4-methyl-6-<(4-methylpiperazin-1-yl)methyl>phenol (155454-68-5) → 4-Methyl-2-<(4-methylpiperazin-1-yl)methyl>-6-<(pyrrolidin-1-yl)methyl>phenol

Guidance literature:

With sodium acetate; sodium cyanoborohydride; In methanol; for 18h; Ambient temperature;

DOI:10.1021/jo00087a046

Reference yield:

2-Formyl-4-methyl-6-<(4-methylpiperazin-1-yl)methyl>phenol (155454-68-5) → 4-Methyl-2-<(4-methylpiperazin-1-yl)methyl>-6-<methyl>phenol

Guidance literature:

Multi-step reaction with 2 steps

1: methanol

2: H₂ / Pd/C / methanol / 16 h / 1551.4 Torr

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1021/jo00087a046

upstream raw materials:

1-methyl-piperazine

formaldehyd

2-hydroxy-5-methylbenzaldehyde

Downstream raw materials:

5-methyl-3-(4-methylpiperazin-1-ylmethyl)salicylaldimine