4-(4-Benzylpiperazin-1-yl)benzaldehyde

Base Information

• Chemical Name: 4-(4-Benzylpiperazin-1-yl)benzaldehyde
• CAS No.: 166438-88-6
• Molecular Formula: C18H20N2O
• Molecular Weight: 280.37
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID50370760
• Nikkaji Number: J1.939.423I
• Wikidata: Q82157918
• Mol file: 166438-88-6.mol

Synonyms:4-(4-benzylpiperazin-1-yl)benzaldehyde;166438-88-6;4-(4-Benzylpiperazino)benzaldehyde;4-(4-Benzylpiperazino)benzenecarbaldehyde;4-(4-Benzyl-1-piperazinyl)benzaldehyde;Benzaldehyde,4-[4-(phenylmethyl)-1-piperazinyl]-;SCHEMBL4392263;DTXSID50370760;JDWZUVQRUPAVPK-UHFFFAOYSA-N;MFCD01765492;AKOS000260340;CS-0206418;FT-0643596;A50692;12Z-0705;J-513456

Chemical Property of 4-(4-Benzylpiperazin-1-yl)benzaldehyde

Chemical Property:

• Vapor Pressure: 3.68E-08mmHg at 25°C
• Melting Point: 73-75 °C
• Boiling Point: 446.3 °C at 760 mmHg
• Flash Point: 195.3 °C
• PSA: 23.55000
• Density: 1.155 g/cm³
• LogP: 2.82420
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 280.157563266
• Heavy Atom Count: 21
• Complexity: 311

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-Benzylpiperazin-1-yl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)C=O

Technology Process of 4-(4-Benzylpiperazin-1-yl)benzaldehyde

There total 3 articles about 4-(4-Benzylpiperazin-1-yl)benzaldehyde 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: 92.0%

1-phenylmethylpiperazine (2759-28-6) + 4-fluorobenzaldehyde (459-57-4) → 4-(4-benzylpiperazin-1-yl)benzaldehyde (166438-88-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 - 100 ℃;

DOI:10.1007/s11030-016-9714-7

Reference yield:

4-(bis(2-chloroethyl)amino)benzaldehyde (1208-03-3) + benzylamine (100-46-9) → 4-(4-benzylpiperazin-1-yl)benzaldehyde (166438-88-6)

Guidance literature:

With sodium iodide; triethylamine; In acetone;

Reference yield:

→ 4-(4-benzylpiperazin-1-yl)benzaldehyde (166438-88-6)

Guidance literature:

upstream raw materials:

4-(bis(2-chloroethyl)amino)benzaldehyde

benzylamine

1-phenylmethylpiperazine

4-fluorobenzaldehyde

Refernces

• 1、 Zengin, Merve,Unsal-Tan, Oya,Kü?ükk?l?n?, Tuba Tüylü,Ayazgok, Beyza,Balkan, Ayla. "Design and Synthesis of 2-Substitutedphenyl Benzo[D]Thiazole Derivatives and Their β-Amyloid Aggregation and Cholinesterase Inhibitory Activities". . p. 322 - 328. Retrieved 2019/07/29.
• 2、 Mishra, Chandra Bhushan,Kumari, Shikha,Angeli, Andrea,Bua, Silvia,Buonanno, Martina,Monti, Simona Maria,Tiwari, Manisha,Supuran, Claudiu T.. "Discovery of potent anti-convulsant carbonic anhydrase inhibitors: Design, synthesis, in vitro and in vivo appraisal". . p. 430 - 443. Retrieved 2018/07/25.