1,4-Piperazinedicarboxaldehyde

Base Information

• Chemical Name: 1,4-Piperazinedicarboxaldehyde
• CAS No.: 4164-39-0
• Molecular Formula: C6H10 N2 O2
• Molecular Weight: 142.158
• Hs Code.: 29335990
• European Community (EC) Number: 224-011-7
• NSC Number: 506922
• DSSTox Substance ID: DTXSID4063329
• Nikkaji Number: J224.964B
• Wikidata: Q81990667
• Mol file: 4164-39-0.mol

Synonyms:1,4-Diformylpiperazine;4164-39-0;Piperazine-1,4-dicarbaldehyde;1,4-Piperazinedicarboxaldehyde;AI3-28699;EINECS 224-011-7;NSC 506922;NSC506922;1,4-Piperazine dialdehyde;NCIOpen2_003616;SCHEMBL141255;piperazine-1,4-dicarboxaldehyde;DTXSID4063329;MFCD00006153;STK394998;1,4-Piperazinedicarboxaldehyde, 98%;AKOS002305714;NSC-506922;AS-59734;CS-0155228;D2578;FT-0606872;D82908;A825620

Chemical Property of 1,4-Piperazinedicarboxaldehyde

Chemical Property:

• Appearance/Colour: white to yellow crystalline powder
• Vapor Pressure: 9.17E-06mmHg at 25°C
• Melting Point: 126 - 129 C
• Refractive Index: 1.5010 (estimate)
• Boiling Point: 373.1°Cat760mmHg
• PKA: 1.26±0.70(Predicted)
• Flash Point: 194.5°C
• PSA: 40.62000
• Density: 1.397g/cm³
• LogP: 0.06440
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: -1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.074227566
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

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

1,4-Diformylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36/37-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CCN1C=O)C=O
• Uses: 1,4-Piperazinedicarboxaldehyde may be used in chemical synthesis studies.

Technology Process of 1,4-Piperazinedicarboxaldehyde

There total 23 articles about 1,4-Piperazinedicarboxaldehyde 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: 99.0%

piperazine (110-85-0) + formic acid (64-18-6) → N,N'-diformylpiperazine (4164-39-0)

Guidance literature:

With silica gel; for 0.00972222h; microwave irradiation;

DOI:10.1002/jccs.200700067

Reference yield: 98.0%

piperazine (110-85-0) + formic acid ethyl ester (109-94-4) → N,N'-diformylpiperazine (4164-39-0)

Guidance literature:

With sulfonic acid supported on polydopamine (PDA)-encapsulated Fe₃O₄ nanoparticles; In neat (no solvent); at 40 ℃; for 1h; Green chemistry;

DOI:10.1039/c7nj00417f

Reference yield: 96.0%

piperazine (110-85-0) + carbon dioxide (124-38-9,18923-20-1) → N,N'-diformylpiperazine (4164-39-0)

Guidance literature:

With C₃₂H₃₆ClNO₂P₂Ru; hydrogen; In tetrahydrofuran; at 120 ℃; for 20h; under 30402 Torr; Autoclave; Green chemistry;

upstream raw materials:

piperazine

formic acid

Methyl formate

formamide

Downstream raw materials:

piperazine-1-carbaldehyde

1,4-dibenzoylpiperazine

4-benzoyl-1-piperazinecarboxaldehyde

1,4-bis(1,5-diphenylpenta-1,4-diyn-3-yl)piperazine

Refernces

• 1、 Li, Jinpeng,Huang, Changyu,Wen, Daheng,Zheng, Qingshu,Tu, Bo,Tu, Tao. "Nickel-Catalyzed Amination of Aryl Chlorides with Amides". supporting information. p. 687 - 691. Retrieved 2021/01/09.
• 2、 Du, Chen-Xia,Huang, Zijun,Jiang, Xiaolin,Li, Yuehui,Makha, Mohamed,Wang, Fang,Zhao, Dongmei. "Tetracoordinate borates as catalysts for reductive formylation of amines with carbon dioxide". supporting information. p. 5317 - 5324. Retrieved 2020/09/17.