2,2,2-Trifluoro-1-(4-(4-bromobenzoyl)piperidin-1-yl)ethanone

Base Information

• Chemical Name: 2,2,2-Trifluoro-1-(4-(4-bromobenzoyl)piperidin-1-yl)ethanone
• CAS No.: 203186-01-0
• Molecular Formula: C14H13BrF3NO2
• Molecular Weight: 364.162
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80473899
• Wikidata: Q82303575
• Mol file: 203186-01-0.mol

Synonyms:203186-01-0;2,2,2-Trifluoro-1-(4-(4-bromobenzoyl)piperidin-1-yl)ethanone;1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone;2,2,2-Trifluoro-1-(4-(4-bromobenzoyl)-piperidin-1-yl)ethanone;SCHEMBL4244603;DTXSID80473899;AKOS015949529;CS-W001495;s11293;FT-0685019;W-206501;(4-BROMOPHENYL)[1-(TRIFLUOROACETYL)-4-PIPERIDINYL]METHANONE;1-[4-(4-bromo-benzoyl)-piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-(4-bromobenzoyl)piperidin-1-yl]-2, 2, 2-trifluoroethanone;1-[4-(4-Bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethan-1-one

Chemical Property of 2,2,2-Trifluoro-1-(4-(4-bromobenzoyl)piperidin-1-yl)ethanone

Chemical Property:

• PSA: 37.38000
• LogP: 3.37060
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 363.00818
• Heavy Atom Count: 21
• Complexity: 398

Purity/Quality:

98%min ^*data from raw suppliers

2,2,2-Trifluoro-1-(4-(4-bromobenzoyl)piperidin-1-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)Br)C(=O)C(F)(F)F

Technology Process of 2,2,2-Trifluoro-1-(4-(4-bromobenzoyl)piperidin-1-yl)ethanone

There total 3 articles about 2,2,2-Trifluoro-1-(4-(4-bromobenzoyl)piperidin-1-yl)ethanone 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:

bromobenzene (108-86-1,52753-63-6) + 1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride (126501-71-1) → 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone (203186-01-0)

Guidance literature:

With aluminium trichloride; at 20 ℃; for 4h;

DOI:10.1021/jm015526o

Reference yield:

isonipecotic acid (498-94-2) → 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone (203186-01-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 4 h / Heating

2: SOCl₂ / Heating

3: AlCl₃ / 4 h / Heating

With aluminium trichloride; thionyl chloride; 3: Friedel-Crafts acylation;

DOI:10.1021/jm0200815

Reference yield:

1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid (126501-70-0) → 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone (203186-01-0)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / Heating

2: AlCl₃ / 4 h / Heating

With aluminium trichloride; thionyl chloride; 2: Friedel-Crafts acylation;

DOI:10.1021/jm0200815

upstream raw materials:

bromobenzene

1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride

isonipecotic acid

1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid