1-[2-(Trifluoromethyl)benzoyl]piperazine

Base Information

• Chemical Name: 1-[2-(Trifluoromethyl)benzoyl]piperazine
• CAS No.: 179534-78-2
• Molecular Formula: C12H13F3N2O
• Molecular Weight: 258.243
• DSSTox Substance ID: DTXSID50587457
• Wikidata: Q82479888
• Mol file: 179534-78-2.mol

Synonyms:1-[2-(trifluoromethyl)benzoyl]piperazine;179534-78-2;Piperazin-1-yl(2-(trifluoromethyl)phenyl)methanone;piperazin-1-yl-[2-(trifluoromethyl)phenyl]methanone;starbld0000582;SCHEMBL25305;DTXSID50587457;GS3263;MFCD08442668;AKOS000125650;DB-013775;EN300-36079;piperazin-1-yl-(2-trifluoromethyl-phenyl)methanone;piperazin-1-yl-(2-trifluoromethylphenyl)-methanone;piperazin-1-yl-(2-trifluoromethylphenyl)methanone;J-011462;piperazin-1-yl-(2-trifluoromethyl-phenyl)-methanone;(Piperazin-1-yl)[2-(trifluoromethyl)phenyl]methanone;Methanone, 1-piperazinyl[2-(trifluoromethyl)phenyl]-;Z228586838

Chemical Property of 1-[2-(Trifluoromethyl)benzoyl]piperazine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 361.147oC at 760 mmHg
• Flash Point: 172.216oC
• PSA: 32.34000
• Density: 1.265g/cm3
• LogP: 2.01750
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 258.09799753
• Heavy Atom Count: 18
• Complexity: 300

Purity/Quality:

97% ^*data from raw suppliers

1-([2-(TRIFLUOROMETHYL)PHENYL]CARBONYL)PIPERAZINE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C(=O)C2=CC=CC=C2C(F)(F)F

Technology Process of 1-[2-(Trifluoromethyl)benzoyl]piperazine

There total 3 articles about 1-[2-(Trifluoromethyl)benzoyl]piperazine 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: 93.0%

4-(2-trifluoromethylbenzoyl)piperazine-1-carboxylic acid t-butyl ester (840491-84-1) → piperazine-1-yl-(2-trifluoromethylphenyl)methanone (179534-78-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmcl.2009.07.015

Reference yield: 86.0%

(4-benzyl-piperazin-1-yl)-(2-trifluoromethyl-phenyl)-methanone (948670-83-5) → piperazine-1-yl-(2-trifluoromethylphenyl)methanone (179534-78-2)

Guidance literature:

With ammonium formate; palladium 10% on activated carbon; In methanol; water; at 75 ℃; for 4h;

Reference yield: 55.0%

2-trifluoromethylbenzoyl chloride (312-94-7) → piperazine-1-yl-(2-trifluoromethylphenyl)methanone (179534-78-2)

Guidance literature:

upstream raw materials:

2-trifluoromethylbenzoyl chloride

4-(2-trifluoromethylbenzoyl)piperazine-1-carboxylic acid t-butyl ester

(4-benzyl-piperazin-1-yl)-(2-trifluoromethyl-phenyl)-methanone

Downstream raw materials:

[4-(3-amino-4-nitrophenyl)piperazin-1-yl]-(2-trifluoromethylphenyl)methanone

[4-(6-aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethyl-phenyl)methanone

2-[4-(2-trifluoromethylbenzoyl)piperazin-1-yl]thiazole-5-carboxylic acid methyl ester

6-[4-(2-trifluoromethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid methyl ester