4-Benzoyl-1-piperazinecarboxaldehyde

Base Information

• Chemical Name: 4-Benzoyl-1-piperazinecarboxaldehyde
• CAS No.: 57238-77-4
• Molecular Formula: C₁₂H₁₄N₂O₂
• Molecular Weight: 218.255
• DSSTox Substance ID: DTXSID101290645
• Nikkaji Number: J3.444.584B
• Mol file: 57238-77-4.mol

Synonyms:4-benzoyl-1-piperazinecarboxaldehyde;4-benzoylpiperazine-1-carbaldehyde;TimTec1_004616;57238-77-4;SCHEMBL9534140;4-Benzoyl-1-piperazinecarbaldehyde;DTXSID101290645;HMS1547B18;Cl-4854;AKOS004099519

Chemical Property of 4-Benzoyl-1-piperazinecarboxaldehyde

Chemical Property:

• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 218.105527694
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1C=O)C(=O)C2=CC=CC=C2

Technology Process of 4-Benzoyl-1-piperazinecarboxaldehyde

There total 12 articles about 4-Benzoyl-1-piperazinecarboxaldehyde 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%

carbon dioxide (124-38-9,18923-20-1) + N-Benzoylpiperazine (13754-38-6) → 4-benzoyl-1-piperazinecarboxaldehyde (57238-77-4)

Guidance literature:

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

Reference yield: 80.0%

1-benzoyl-4-methylpiperazine (7556-56-1) → 4-benzoyl-1-piperazinecarboxaldehyde (57238-77-4)

Guidance literature:

With 1‐methyl‐2‐azaadamantane‐N‐oxyl; [2,2]bipyridinyl; copper(II) bis(trifluoromethanesulfonate); copper(l) chloride; In acetonitrile; at 20 ℃; for 24h;

DOI:10.1002/anie.201909005

Reference yield: 77.0%

piperazine-1-carbaldehyde (7755-92-2) + benzoyl chloride (98-88-4) → 4-benzoyl-1-piperazinecarboxaldehyde (57238-77-4)

Guidance literature:

With sodium hydrogencarbonate; In chloroform; at 20 ℃; Temperature;

upstream raw materials:

piperazine-1-carbaldehyde

2,4-dinitrophenyl benzoate

p-nitrophenylbenzoate

S-4-nitrophenyl thiobenzoate

Downstream raw materials:

1-benzoyl-4-methylpiperazine

N-benzoylpiperazine hydrochloride