1-(1-Ethyl-2-methyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethanone

Base Information

• Chemical Name: 1-(1-Ethyl-2-methyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethanone
• CAS No.: 144219-84-1
• Molecular Formula: C9H10 F3 N O
• Molecular Weight: 205.1770096
• DSSTox Substance ID: DTXSID60566233
• Wikidata: Q82451758
• Mol file: 144219-84-1.mol

Synonyms:144219-84-1;1-(1-Ethyl-2-methyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethanone;Ethanone, 1-(1-ethyl-2-methyl-1H-pyrrol-3-yl)-2,2,2-trifluoro- (9CI);1-(1-ETHYL-2-METHYLPYRROL-3-YL)-2,2,2-TRIFLUOROETHANONE;DTXSID60566233;1-(1-Ethyl-2-methyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethan-1-one

Chemical Property of 1-(1-Ethyl-2-methyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethanone

Chemical Property:

• PSA: 22.00000
• LogP: 2.56140
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 205.07144843
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=CC(=C1C)C(=O)C(F)(F)F

Technology Process of 1-(1-Ethyl-2-methyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethanone

There total 3 articles about 1-(1-Ethyl-2-methyl-1H-pyrrol-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: 100.0%

ethyl iodide (75-03-6) + 3-trifluoroacetyl-2-methylpyrrole (142991-74-0) → 1-ethyl-3-trifluoroacetyl-2-methylpyrrole (144219-84-1)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 40 ℃; for 20h;

Reference yield:

1,1,1-trifluoro-4-methoxypent-3-en-2-one (135351-20-1,102145-82-4) → 1-ethyl-3-trifluoroacetyl-2-methylpyrrole (144219-84-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 100 percent / acetonitrile / 4 h / Ambient temperature

2: 100 percent / trifluoroacetic acid, water / 4 h / Ambient temperature

3: 100 percent / KOH / dimethylsulfoxide / 20 h / 40 °C

With potassium hydroxide; water; trifluoroacetic acid; In dimethyl sulfoxide; acetonitrile;

Reference yield:

1,1,1-trifluoro-4-(2,2-dimethoxyethylamino)-3-penten-2-one (142991-73-9) → 1-ethyl-3-trifluoroacetyl-2-methylpyrrole (144219-84-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / trifluoroacetic acid, water / 4 h / Ambient temperature

2: 100 percent / KOH / dimethylsulfoxide / 20 h / 40 °C

With potassium hydroxide; water; trifluoroacetic acid; In dimethyl sulfoxide;

upstream raw materials:

ethyl iodide

3-trifluoroacetyl-2-methylpyrrole

1,1,1-trifluoro-4-methoxypent-3-en-2-one

1,1,1-trifluoro-4-(2,2-dimethoxyethylamino)-3-penten-2-one