2-[3-(Trifluoromethyl)phenoxy]propanoic acid

Base Information

• Chemical Name: 2-[3-(Trifluoromethyl)phenoxy]propanoic acid
• CAS No.: 836-35-1
• Molecular Formula: C10H9F3O3
• Molecular Weight: 234.175
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID40395563
• Mol file: 836-35-1.mol

Synonyms:2-[3-(trifluoromethyl)phenoxy]propanoic acid;836-35-1;2-(3-Trifluoromethyl-phenoxy)-propionic acid;2-(3-(Trifluoromethyl)phenoxy)propanoic acid;SCHEMBL6550208;DTXSID40395563;DNJHPYCYAWQQGH-UHFFFAOYSA-N;BBL013393;MFCD03422213;STK401511;AKOS000100828;AKOS017258714;VS-03809;CS-0456086;EN300-86521

Chemical Property of 2-[3-(Trifluoromethyl)phenoxy]propanoic acid

Chemical Property:

• Vapor Pressure: 0.000938mmHg at 25°C
• Boiling Point: 290.7°C at 760 mmHg
• Flash Point: 129.6°C
• PSA: 46.53000
• Density: 1.338g/cm³
• LogP: 2.55730
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 234.05037863
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

98%min ^*data from raw suppliers

2-[3-(Trifluoromethyl)phenoxy]propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)OC1=CC=CC(=C1)C(F)(F)F

Technology Process of 2-[3-(Trifluoromethyl)phenoxy]propanoic acid

There total 2 articles about 2-[3-(Trifluoromethyl)phenoxy]propanoic 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:

3-Trifluoromethylphenol (98-17-9) + 2-Bromopropionic acid (598-72-1,10327-08-9) → 2-(3-trifluoromethyl-phenoxy)-propionic acid (836-35-1)

Guidance literature:

With sodium hydroxide; In ethanol; for 24h; Schlenk technique; Inert atmosphere; Reflux;

DOI:10.1021/acs.orglett.0c00748

Reference yield:

→ 2-(3-trifluoromethyl-phenoxy)-propionic acid (836-35-1)

Guidance literature:

3-Trifluormethyl-phenol, α-Brompropionsaeure, wss. NaOH <<30grad, dann 20h 100grad>;

DOI:10.1021/ja01500a036

Reference yield: 70.0%

2-(3-trifluoromethyl-phenoxy)-propionic acid (836-35-1) + 7-(2-hydroxyethyl)theophylline (519-37-9) → 2-(3-trifluoromethyl-phenoxy)-propionic acid 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethyl ester (54504-77-7)

Guidance literature:

With toluene-4-sulfonic acid; In xylene; for 6h; Heating;

upstream raw materials:

3-Trifluoromethylphenol

2-Bromopropionic acid

Downstream raw materials:

6β-[(Ξ)-2-(3-trifluoromethyl-phenoxy)-propionylamino]-penicillanic acid

2-(3-trifluoromethyl-phenoxy)-propionic acid 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethyl ester

2-(3-Trifluoromethyl-phenoxy)-propionic acid 3,3,5-trimethyl-cyclohexyl ester

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