2-(4-Methylpiperazin-1-yl)benzaldehyde

Base Information

• Chemical Name: 2-(4-Methylpiperazin-1-yl)benzaldehyde
• CAS No.: 85803-62-9
• Molecular Formula: C12H16N2O
• Molecular Weight: 204.272
• Hs Code.: 2933599090
• European Community (EC) Number: 673-073-5
• DSSTox Substance ID: DTXSID20383786
• Wikidata: Q82175581
• Mol file: 85803-62-9.mol

Synonyms:2-(4-methylpiperazin-1-yl)benzaldehyde;85803-62-9;2-(4-Methylpiperazino)benzaldehyde;2-(4-Methylpiperazino)benzadehyde;MFCD01313808;Benzaldehyde, 2-(4-methyl-1-piperazinyl)-;SCHEMBL414216;AMY4672;DTXSID20383786;GSRYZPWIWYYROI-UHFFFAOYSA-N;4-methylpiperazin-1-ylbenzaldehyde;2-(4-methylpiperazinyl)-benzaldehyde;AKOS000260630;CS-W006303;2-(4-Methyl-1-piperazinyl)benzaldehyde;2-(4methyl-1-piperazinyl)-benzaldehyde;2-(4-methyl-1-piperazinyl)-benzaldehyde;2-(4-methylpiperazin-1-yl)-benzaldehyde;SY109568;TS-02905;FT-0608678;2-(4-methylpiperazino)benzaldehyde, AldrichCPR;EN300-725369;F10452;A841453;J-506070

Chemical Property of 2-(4-Methylpiperazin-1-yl)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.000152mmHg at 25°C
• Melting Point: 44 °C
• Refractive Index: 1.581
• Boiling Point: 331.9 °C at 760 mmHg
• PKA: 7.69±0.42(Predicted)
• Flash Point: 142.3 °C
• PSA: 23.55000
• Density: 1.107 g/cm³
• LogP: 1.25380
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 204.126263138
• Heavy Atom Count: 15
• Complexity: 212

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-Methylpiperazin-1-yl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=CC=CC=C2C=O

Technology Process of 2-(4-Methylpiperazin-1-yl)benzaldehyde

There total 2 articles about 2-(4-Methylpiperazin-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: 100.0%

1-methyl-piperazine (109-01-3) + 2-Fluorobenzaldehyde (446-52-6) → 2-(4-methylpiperazin-1-yl)benzaldehyde (85803-62-9)

Guidance literature:

With potassium carbonate; In water; for 18h; Heating / reflux;

Reference yield:

→ 2-(4-methylpiperazin-1-yl)benzaldehyde (85803-62-9)

Guidance literature:

Reference yield: 99.0%

(methoxymethyl)triphenylphosphonium chloride (4009-98-7) + 2-(4-methylpiperazin-1-yl)benzaldehyde (85803-62-9) → [2-(4-methylpiperazin-1-yl)phenyl]acetaldehyde (886593-59-5)

Guidance literature:

(methoxymethyl)triphenylphosphonium chloride; With potassium tert-butylate; In tetrahydrofuran; at 10 ℃; for 0.25h;

2-(4-methylpiperazin-1-yl)benzaldehyde; In tetrahydrofuran; at 20 ℃;

With hydrogenchloride; potassium carbonate; more than 3 stages;

upstream raw materials:

1-methyl-piperazine

2-Fluorobenzaldehyde

Downstream raw materials:

2-[2-(4-Methyl-piperazin-1-yl)-benzylidene]-malononitrile

1-methyl-4-[2-(2-nitrovinyl)phenyl]piperazine

(2-(4-methylpiperazin-1-yl)phenyl)methanamine

N-methyl-2-(4-methylpiperazin-1-yl)benzylamine

Refernces

• 1、 Bhaskarachar, Ravi Kiran,Revanasiddappa, Vijayakumar G.,Hegde, Subramanya,Balakrishna, Janardhana P.,Reddy, Suman Y.. "Design, synthesis and anticancer activity of functionalized spiro-quinolines with barbituric and thiobarbituric acids". . p. 3516 - 3528. Retrieved 2015/08/03.
• 2、 Shin, Dae-Seop,Kim, Jong-Han,Lee, Su-Kyung,Han, Dong Cho,Son, Kwang-Hee,Kim, Hwan-Mook,Cheon, Hyae-Gyeong,Kim, Kwang-Rok,Sung, Nack-Do,Lee, Seung Jae,Kang, Sung Kwon,Kwon, Byoung-Mog. "Synthesis and biological evaluation of dimeric cinnamaldehydes as potent antitumor agents". . p. 2498 - 2506. Retrieved 2007/10/03.