4-[(4-Methylpiperazin-1-yl)methyl]benzaldehyde

Base Information

• Chemical Name: 4-[(4-Methylpiperazin-1-yl)methyl]benzaldehyde
• CAS No.: 439691-80-2
• Molecular Formula: C13H18N2O
• Molecular Weight: 218.299
• Hs Code.: 2933599590
• DSSTox Substance ID: DTXSID30428218
• Wikidata: Q82241018
• Mol file: 439691-80-2.mol

Synonyms:4-[(4-methylpiperazin-1-yl)methyl]benzaldehyde;439691-80-2;Benzaldehyde,4-[(4-methyl-1-piperazinyl)methyl]-;4-((4-Methylpiperazin-1-yl)methyl)benzaldehyde;MFCD07772865;1-(4-Formylbenzyl)-4-methylpiperazine;SCHEMBL211265;DTXSID30428218;DJJFKXUSAXIMLS-UHFFFAOYSA-N;BBL103456;STL557266;AKOS023095946;MS-20625;4-[(4-Methylpiperazino)methyl]benzaldehyde;CS-0301029;FT-0644681;4-(4-methyl piperazin-1-ylmethyl)benzaldehyde;EN300-1196677;A826466;(3-BOC-AMINO-PIPERIDIN-1-YL)-FURAN-2-YL-ACETICACID

Chemical Property of 4-[(4-Methylpiperazin-1-yl)methyl]benzaldehyde

Chemical Property:

• Vapor Pressure: 9.53E-05mmHg at 25°C
• Refractive Index: 1.581
• Boiling Point: 338.9 °C at 760 mmHg
• Flash Point: 141.3 °C
• PSA: 23.55000
• Density: 1.099 g/cm³
• LogP: 1.12230
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 218.141913202
• Heavy Atom Count: 16
• Complexity: 216

Purity/Quality:

98%min ^*data from raw suppliers

4-[(4-methylpiperazin-1-yl)methyl]benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CC2=CC=C(C=C2)C=O

Technology Process of 4-[(4-Methylpiperazin-1-yl)methyl]benzaldehyde

There total 14 articles about 4-[(4-Methylpiperazin-1-yl)methyl]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: 97.0%

4-[(4-methyl-1-piperazinyl)methyl]benzonitrile (125743-63-7) → 4-((4-methylpiperazin-1-yl)methyl)benzaldehyde (439691-80-2)

Guidance literature:

4-[(4-methyl-1-piperazinyl)methyl]benzonitrile; With diisobutylaluminium hydride; In n-heptane; toluene; at 20 ℃; for 1h;

With sulfuric acid; In n-heptane; water; toluene; for 18h;

Reference yield: 94.0%

(4-(4-methyl piperazin-1-ylmethyl)phenyl)-methanol (622381-65-1) → 4-((4-methylpiperazin-1-yl)methyl)benzaldehyde (439691-80-2)

Guidance literature:

(4-(4-methyl piperazin-1-ylmethyl)phenyl)-methanol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 - 20 ℃; for 1h;

With triethylamine; In dichloromethane; at -78 ℃;

Reference yield: 82.02%

N-methoxy-N-methyl-4-(4-methyl-piperazin-1-ylmethyl)-benzamide (945762-01-6) → 4-((4-methylpiperazin-1-yl)methyl)benzaldehyde (439691-80-2)

Guidance literature:

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

upstream raw materials:

4-[(4-methyl-1-piperazinyl)methyl]benzonitrile

(4-(4-methyl piperazin-1-ylmethyl)phenyl)-methanol

1-methyl-piperazine

4-(4-methyl piperazin-1-ylmethyl)-benzoic acid ethyl ester

Downstream raw materials:

5,7-dimethoxy-2-(4-((4-methylpiperazin-1-yl)methyl)phenyl)quinazolin-4(3H)-one

1-(4-ethynylbenzyl)-4-methylpiperazine

N-[2-methyl-5-(4-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-1H-1,2,3-triazol-1-yl)phenyl]-4-(pyridine-3-yl)pyrimidin-2-amine

C₂₇H₃₁N₅O

Refernces

• 1、 Wang, Caolin,Xu, Shan,Peng, Liang,Zhang, Bingliang,Zhang, Hong,Hu, Yingying,Zheng, Pengwu,Zhu, Wufu. "Design, synthesis and biological evaluation of novel 4-anlinoquinazoline derivatives as EGFR inhibitors with the potential to inhibit the gefitinib-resistant nonsmall cell lung cancers". . p. 204 - 218. Retrieved 2019/01/03.
• 2、 Li, Yong-Tao,Wang, Jing-Han,Pan, Cheng-Wen,Meng, Fan-Fei,Chu, Xiao-Qian,Ding, Ya-Hui,Qu, Wen-Zheng,Li, Hui-Ying,Yang, Cheng,Zhang, Quan,Bai, Cui-Gai,Chen, Yue. "Syntheses and biological evaluation of 1,2,3-triazole and 1,3,4-oxadiazole derivatives of imatinib". . p. 1419 - 1427. Retrieved 2016/02/19.