1-(6-Bromopyridin-3-YL)-2,2,2-trifluoroethanone

Base Information

• Chemical Name: 1-(6-Bromopyridin-3-YL)-2,2,2-trifluoroethanone
• CAS No.: 886364-47-2
• Molecular Formula: C7H3BrF3NO
• Molecular Weight: 254.0040296
• DSSTox Substance ID: DTXSID10695103
• Nikkaji Number: J3.222.933F
• Wikidata: Q82624127
• Mol file: 886364-47-2.mol

Synonyms:1-(6-BROMOPYRIDIN-3-YL)-2,2,2-TRIFLUOROETHANONE;886364-47-2;1-(6-BROMOPYRIDIN-3-YL)-2,2,2-TRIFLUOROETHAN-1-ONE;1-(6-BROMO-PYRIDIN-3-YL)-2,2,2-TRIFLUORO-ETHANONE;(1-(6-BROMO-PYRIDIN-3-YL)-2,2,2-TRIFLUORO-ETHANONE );1-(6-Bromo-3-pyridyl)-2,2,2-trifluoroethanone;SCHEMBL4371516;DTXSID10695103;ZZWPCTJVPNGEHU-UHFFFAOYSA-N;AKOS016014272;AB41084;AS-78483;CS-0183194;D87559;EN300-1929061;A861699;1-(6-Bromo-3-pyridinyl)-2,2,2-trifluoroethanone;J-503454;Z1269125739

Chemical Property of 1-(6-Bromopyridin-3-YL)-2,2,2-trifluoroethanone

Chemical Property:

• PSA: 29.96000
• LogP: 2.58910
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 252.93501
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

97% ^*data from raw suppliers

1-(6-Bromopyridin-3-yl)-2,2,2-trifluoroethanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC=C1C(=O)C(F)(F)F)Br

Technology Process of 1-(6-Bromopyridin-3-YL)-2,2,2-trifluoroethanone

There total 4 articles about 1-(6-Bromopyridin-3-YL)-2,2,2-trifluoroethanone 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: 98.0%

1-(6-bromopyridin-3-yl)-2,2,2-trifluoroethanol (1188477-81-7) → 1-(6-bromopyridin-3-yl)-2,2,2-trifluoroethan-1-one (886364-47-2)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In ethyl acetate; for 16h; Reflux;

DOI:10.1016/j.tetlet.2013.06.045

Reference yield: 64.81%

2,5-dibromopyridine (624-28-2) + 2,2,2-Trifluoro-1-morpholin-4-yl-ethanone (360-95-2) → 1-(6-bromopyridin-3-yl)-2,2,2-trifluoroethan-1-one (886364-47-2)

Guidance literature:

2,5-dibromopyridine; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

2,2,2-Trifluoro-1-morpholin-4-yl-ethanone; In tetrahydrofuran; hexane; at -78 ℃; Inert atmosphere;

Reference yield:

methyl 6-bromonicotinate (26218-78-0) + (trifluoromethyl)trimethylsilane (81290-20-2) → 1-(6-bromopyridin-3-yl)-2,2,2-trifluoroethan-1-one (886364-47-2)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at -15 ℃; for 0.333333h;

upstream raw materials:

6-bromonicotinaldehyde

1-(6-bromopyridin-3-yl)-2,2,2-trifluoroethanol

methyl 6-bromonicotinate

(trifluoromethyl)trimethylsilane

Downstream raw materials:

1-(6-bromopyridin-3-yl)-2,2,2-trifluoroethanol

benzyl (3S)-4-(5-(2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl)-2-pyridinyl)-3-(1-propyn-1-yl)-1-piperazinecarboxylate

1-(6-cyanopyridin-3-yl)-2,2,2-trifluoroethyl 4-methylbenzenesulfonate

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