(E)-4-(4-Trifluoromethylphenyl)-4-oxo-2-butenoic acid

Base Information

• Chemical Name: (E)-4-(4-Trifluoromethylphenyl)-4-oxo-2-butenoic acid
• CAS No.: 85293-41-0
• Molecular Formula: C11H7F3O3
• Molecular Weight: 244.17
• Wikidata: Q76389062

Synonyms:(E)-4-(4-Trifluoromethylphenyl)-4-oxo-2-butenoic acid;(E)-4-Oxo-4-(4-(trifluoromethyl)phenyl)-2-butenoic acid;85293-41-0;2-Butenoic acid, 4-oxo-4-(4-(trifluoromethyl)phenyl)-, (E)-;C11H7F3O3;SCHEMBL11092186;GTEGXWRXDLLGGZ-AATRIKPKSA-N;C11-H7-F3-O3;LS-47216

Chemical Property of (E)-4-(4-Trifluoromethylphenyl)-4-oxo-2-butenoic acid

Chemical Property:

• Vapor Pressure: 2.2E-05mmHg at 25°C
• Boiling Point: 346.3°C at 760 mmHg
• Flash Point: 163.2°C
• Density: 1.389g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 244.03472857
• Heavy Atom Count: 17
• Complexity: 325

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C=CC(=O)O)C(F)(F)F
• Isomeric SMILES: C1=CC(=CC=C1C(=O)/C=C/C(=O)O)C(F)(F)F

Technology Process of (E)-4-(4-Trifluoromethylphenyl)-4-oxo-2-butenoic acid

There total 5 articles about (E)-4-(4-Trifluoromethylphenyl)-4-oxo-2-butenoic acid 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%

(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)triphenylphosphonium bromide (56893-13-1) + Glyoxilic acid (298-12-4) → 4-(4-trifluoromethylphenyl)-4-oxo-2-butenoic acid (85293-41-0)

Guidance literature:

With triethylamine; In methanol; chloroform; at 25 ℃; for 15h;

DOI:10.1016/j.tet.2020.131088

Reference yield: 67.0%

2-Hydroxy-3-(4-trifluormethylbenzoyl)-propionsaeure (50614-39-6) → 4-(4-trifluoromethylphenyl)-4-oxo-2-butenoic acid (85293-41-0)

Guidance literature:

With hydrogenchloride; In acetic acid; for 1.5h; Heating;

DOI:10.1016/0223-5234(88)90166-3

Reference yield: 42.0%

→ 4-(4-trifluoromethylphenyl)-4-oxo-2-butenoic acid (85293-41-0)

Guidance literature:

upstream raw materials:

2-Hydroxy-3-(4-trifluormethylbenzoyl)-propionsaeure

1-(4-trifluoromethylphenyl)ethanone

glyoxalic acid monohydrate

2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone

Downstream raw materials:

C₁₃H₁₁F₃O₄

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