4-[4-(Trifluoroacetyl)piperazin-1-YL]benzaldehyde

Base Information

• Chemical Name: 4-[4-(Trifluoroacetyl)piperazin-1-YL]benzaldehyde
• CAS No.: 122648-76-4
• Molecular Formula: C13H13F3N2O2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID70699263
• Wikidata: Q82630120
• Mol file: 122648-76-4.mol

Synonyms:4-[4-(TRIFLUOROACETYL)PIPERAZIN-1-YL]BENZALDEHYDE;122648-76-4;4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]benzaldehyde;SCHEMBL23086761;DTXSID70699263;HWSBEWFVRYNALS-UHFFFAOYSA-N

Chemical Property of 4-[4-(Trifluoroacetyl)piperazin-1-YL]benzaldehyde

Chemical Property:

• PSA: 40.62000
• LogP: 1.71290
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 286.09291215
• Heavy Atom Count: 20
• Complexity: 357

Purity/Quality:

4-[4-(TRIFLUOROACETYL)PIPERAZIN-1-YL]BENZALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1C2=CC=C(C=C2)C=O)C(=O)C(F)(F)F

Technology Process of 4-[4-(Trifluoroacetyl)piperazin-1-YL]benzaldehyde

There total 2 articles about 4-[4-(Trifluoroacetyl)piperazin-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:

4-phenyl-1-piperazine (92-54-6) → 4-<4-(Trifluoroacetyl)piperazinyl>benzaldehyde (122648-76-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂

2: POCl₃ / 1,2-dichloro-ethane / 1 h / Heating

With triethylamine; trichlorophosphate; In dichloromethane; 1,2-dichloro-ethane;

DOI:10.1021/ja00201a042

Reference yield:

1-phenyl-4-trifluoroacetyl-piperazine (1692-78-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-<4-(Trifluoroacetyl)piperazinyl>benzaldehyde (122648-76-4)

Guidance literature:

With trichlorophosphate; In 1,2-dichloro-ethane; for 1h; Heating;

DOI:10.1021/ja00201a042

Reference yield: 67.0%

cyanoacetic acid (372-09-8) + 4-<4-(Trifluoroacetyl)piperazinyl>benzaldehyde (122648-76-4) → 2-Cyano-3-<4-<4-(trifluoroacetyl)piperazinyl>phenyl>propenoic acid (122648-77-5)

Guidance literature:

With piperidine; In ethanol; Heating;

DOI:10.1021/ja00201a042

upstream raw materials:

1-phenyl-4-trifluoroacetyl-piperazine

N,N-dimethyl-formamide

4-phenyl-1-piperazine

Downstream raw materials:

2-Cyano-3-<4-<4-(trifluoroacetyl)piperazinyl>phenyl>propenoic acid

2-Cyano-3-(4-piperazinylphenyl)propenoic acid