Methanone, [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl-

Base Information

• Chemical Name: Methanone, [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl-
• CAS No.: 142991-72-8
• Molecular Formula: C₁₃H₁₀F₃NO
• Molecular Weight: 253.224
• DSSTox Substance ID: DTXSID10363274
• Nikkaji Number: J465.813B
• Wikidata: Q82146884
• Mol file: 142991-72-8.mol

Synonyms:142991-72-8;Methanone, [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl-;(5-Methyl-3-trifluoromethyl-1H-pyrrol-2-yl)-phenyl-methanone;[5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]-phenylmethanone;DTXSID10363274;MFCD00173493;AKOS015993282;7G-013;2-Benzoyl-5-methyl-3-trifluoromethyl-1H-pyrrole;2-benzoyl-5-methyl-3-(trifluoromethyl)-1H-pyrrole

Chemical Property of Methanone, [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl-

Chemical Property:

• PSA: 32.86000
• LogP: 3.57290
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 253.07144843
• Heavy Atom Count: 18
• Complexity: 310

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(N1)C(=O)C2=CC=CC=C2)C(F)(F)F

Technology Process of Methanone, [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl-

There total 3 articles about Methanone, [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl- 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: 92.0%

(Z)-1,1,1-Trifluoro-4-(2-oxo-2-phenyl-ethylamino)-pent-3-en-2-one (142991-70-6) → 2-benzoyl-5-methyl-3-trifluoromethylpyrrole (142991-72-8)

Guidance literature:

In 1,3,5-trimethyl-benzene; for 8h; Heating;

DOI:10.1055/s-1992-26155

Reference yield:

2-aminoacetophenone hydrochloride (5468-37-1) → 2-benzoyl-5-methyl-3-trifluoromethylpyrrole (142991-72-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / Et₃N / acetonitrile / 4 h / Ambient temperature

2: 92 percent / 1,3,5-trimethyl-benzene / 8 h / Heating

With triethylamine; In acetonitrile; 1,3,5-trimethyl-benzene;

DOI:10.1055/s-1992-26155

Reference yield:

1,1,1-trifluoro-4-methoxypent-3-en-2-one (135351-20-1,102145-82-4) → 2-benzoyl-5-methyl-3-trifluoromethylpyrrole (142991-72-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / Et₃N / acetonitrile / 4 h / Ambient temperature

2: 92 percent / 1,3,5-trimethyl-benzene / 8 h / Heating

With triethylamine; In acetonitrile; 1,3,5-trimethyl-benzene;

DOI:10.1055/s-1992-26155

upstream raw materials:

(Z)-1,1,1-Trifluoro-4-(2-oxo-2-phenyl-ethylamino)-pent-3-en-2-one

2-aminoacetophenone hydrochloride

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