1-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(2-nitropyridin-3-yl)oxyethanone

Base Information

• Chemical Name: 1-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(2-nitropyridin-3-yl)oxyethanone
• CAS No.: 5548-90-3
• Molecular Formula: C₈H₈F₆O₂
• Molecular Weight: 250.141
• ChEMBL ID: CHEMBL1544150
• DSSTox Substance ID: DTXSID00412068
• Wikidata: Q82219247
• Mol file: 5548-90-3.mol

Synonyms:MLS001010872;1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(2-nitropyridin-3-yl)oxyethanone;SMR000352912;5548-90-3;CHEMBL1544150;BDBM59535;cid_5234736;DTXSID00412068;HMS2717C13;AKOS033924900;Z24778954;1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(2-nitro-3-pyridinyl)oxy]ethanone;1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-[(2-nitro-3-pyridyl)oxy]ethanone;1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-nitropyridin-3-yl)oxy-ethanone

Chemical Property of 1-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(2-nitropyridin-3-yl)oxyethanone

Chemical Property:

• Vapor Pressure: 1.04E-13mmHg at 25°C
• Boiling Point: 585.9°C at 760 mmHg
• Flash Point: 308.1°C
• Density: 1.33g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 355.11682065
• Heavy Atom Count: 26
• Complexity: 512

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

Technology Process of 1-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(2-nitropyridin-3-yl)oxyethanone

There total 1 articles about 1-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(2-nitropyridin-3-yl)oxyethanone 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:

bis(trifluoromethyl)ketene (684-22-0) + ethyl vinyl ether (109-92-2,25104-37-4) → 1-ethoxy-5,5,5-trifluoro-4-trifluoromethyl-pent-1-en-3-one (5548-90-3)

Guidance literature:

In diethyl ether;

DOI:10.1016/0040-4020(68)88086-X

Reference yield:

1-ethoxy-5,5,5-trifluoro-4-trifluoromethyl-pent-1-en-3-one (5548-90-3) → 2,3-Dibromo-2-ethoxy-6,6,6-trifluoro-5-trifluoromethyl-hex-4-enoic acid cyclohexylamide (65064-63-3)

Guidance literature:

Multi-step reaction with 2 steps

1: cyclohexane

2: Br₂ / diethyl ether; dioxane

With bromine; In 1,4-dioxane; diethyl ether; cyclohexane;

DOI:10.1007/BF00924387

Reference yield:

1-ethoxy-5,5,5-trifluoro-4-trifluoromethyl-pent-1-en-3-one (5548-90-3) → (Z)-3-Bromo-2-ethoxy-6,6,6-trifluoro-5-trifluoromethyl-hexa-2,4-dienoic acid cyclohexylamide

Guidance literature:

Multi-step reaction with 3 steps

1: cyclohexane

2: Br₂ / diethyl ether; dioxane

3: Et₃N / diethyl ether

With bromine; triethylamine; In 1,4-dioxane; diethyl ether; cyclohexane;

DOI:10.1007/BF00924387

upstream raw materials:

bis(trifluoromethyl)ketene

ethyl vinyl ether

Downstream raw materials:

C₁₅H₁₉F₆NO₂

(E)-6,6,6-Trifluoro-2-oxo-5-trifluoromethyl-hex-3-enoic acid cyclohexylamide

C₁₃H₁₄BrF₆NO₂

3,4-Dibromo-6,6,6-trifluoro-2-oxo-5-trifluoromethyl-hexanoic acid cyclohexylamide