(4-Bromophenyl)(4-(trifluoromethyl)piperidin-1-yl)methanone

Base Information

• Chemical Name: (4-Bromophenyl)(4-(trifluoromethyl)piperidin-1-yl)methanone
• CAS No.: 956320-62-0
• Molecular Formula: C13H13BrF3NO
• Molecular Weight: 336.152
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30694693
• Wikidata: Q72511439
• Mol file: 956320-62-0.mol

Synonyms:(4-Bromophenyl)(4-(trifluoromethyl)piperidin-1-yl)methanone;956320-62-0;Methanone, (4-bromophenyl)[4-(trifluoromethyl)-1-piperidinyl]-;(4-Bromophenyl)[4-(trifluoromethyl)piperidin-1-yl]methanone;SCHEMBL1092561;DTXSID30694693;AKOS014875185;A858977;A1-41464;(4-Bromo-phenyl)-(4-trifluoromethyl-piperidin-1-yl)-methanone;(4-bromophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

Chemical Property of (4-Bromophenyl)(4-(trifluoromethyl)piperidin-1-yl)methanone

Chemical Property:

• PSA: 20.31000
• Density: 1.502
• LogP: 3.80150
• Storage Temp.: 2-8°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 335.01326
• Heavy Atom Count: 19
• Complexity: 318

Purity/Quality:

99% ^*data from raw suppliers

(4-Bromophenyl)(4-(trifluoromethyl)piperidin-1-yl)methanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (4-Bromophenyl)(4-(trifluoromethyl)piperidin-1-yl)methanone

There total 1 articles about (4-Bromophenyl)(4-(trifluoromethyl)piperidin-1-yl)methanone 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: 83.0%

4-(trifluoromethyl)piperidine hydrochloride (155849-49-3) + 4-Bromobenzoic acid (586-76-5) → (4-bromo-phenyl)-(4-trifluoromethyl-piperidin-1-yl)-methanone (956320-62-0)

Guidance literature:

With 4-methyl-morpholine; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; In tetrahydrofuran; for 16h;

Reference yield: 82.0%

(4-bromo-phenyl)-(4-trifluoromethyl-piperidin-1-yl)-methanone (956320-62-0) + acetic acid 2,6-dichloro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl ester (956320-63-1) → acetic acid 3,5-dichloro-4'-(4-trifluoromethyl-piperidine-1-carbonyl)-biphenyl-4-ylmethyl ester (956320-64-2)

Guidance literature:

With potassium carbonate; palladium diacetate; triphenylphosphine; In methanol; 1,2-dimethoxyethane; water; at 20 - 80 ℃;

Reference yield: 27.0%

(4-bromo-phenyl)-(4-trifluoromethyl-piperidin-1-yl)-methanone (956320-62-0) + bis(pinacol)diborane (73183-34-3) → (4-Trifluoromethyl-piperidin-1-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone (955406-44-7)

Guidance literature:

With potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In dimethyl sulfoxide; at 80 ℃; for 17h;

upstream raw materials:

4-(trifluoromethyl)piperidine hydrochloride

4-Bromobenzoic acid

Downstream raw materials:

acetic acid 3,5-dichloro-4'-(4-trifluoromethyl-piperidine-1-carbonyl)-biphenyl-4-ylmethyl ester

(4-Trifluoromethyl-piperidin-1-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone

(3',5'-dichloro-4'-hydroxymethyl-biphenyl-4-yl)-(4-trifluoromethyl-piperidin-1-yl)-methanone

(4'-bromomethyl-3',5'-dichloro-biphenyl-4-yl)-(4-trifluoromethyl-piperidin-1-yl)-methanone

Refernces

• 1、 -. "INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1". Page/Page column 68-69. . Retrieved 2008/06/13.