2-Phenoxy-5-(trifluoromethyl)aniline

Base Information

• Chemical Name: 2-Phenoxy-5-(trifluoromethyl)aniline
• CAS No.: 50594-29-1
• Molecular Formula: C₁₃H₁₀F₃NO
• Molecular Weight: 253.224
• DSSTox Substance ID: DTXSID70542725
• Wikidata: Q82419474
• Mol file: 50594-29-1.mol

Synonyms:2-phenoxy-5-(trifluoromethyl)aniline;50594-29-1;2-PHENOXY-5-(TRIFLUOROMETHYL)PHENYLAMINE;1431964-47-4;Benzenamine, 2-phenoxy-5-(trifluoromethyl)-;SCHEMBL11385841;DTXSID70542725;FNDYIQSNURRMNP-UHFFFAOYSA-N;AKOS000318511;SB81882;CS-0270167;EN300-232630

Chemical Property of 2-Phenoxy-5-(trifluoromethyl)aniline

Chemical Property:

• Boiling Point: 298.4±40.0 °C(Predicted)
• PKA: 2.92±0.10(Predicted)
• PSA: 35.25000
• Density: 1.293±0.06 g/cm3(Predicted)
• LogP: 4.66110
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 253.07144843
• Heavy Atom Count: 18
• Complexity: 264

Purity/Quality:

98%min ^*data from raw suppliers

2-Phenoxy-5-(trifluoromethyl)phenylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)N

Technology Process of 2-Phenoxy-5-(trifluoromethyl)aniline

There total 1 articles about 2-Phenoxy-5-(trifluoromethyl)aniline 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:

2-nitro-1-phenoxy-4-(trifluoromethyl)benzene (1960-59-4) → 2-Phenoxy-5-trifluoromethyl-phenylamine (50594-29-1)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol;

Reference yield: 64.5%

2-Phenoxy-5-trifluoromethyl-phenylamine (50594-29-1) + ammonium thiocyanate (1147550-11-5) + benzoyl chloride (98-88-4) → 1-Benzoyl-3-(2-phenoxy-5-trifluoromethyl-phenyl)-thiourea (76838-36-3)

Guidance literature:

In acetone; for 1h; Heating;

DOI:10.1248/cpb.33.4409

Reference yield:

2-Phenoxy-5-trifluoromethyl-phenylamine (50594-29-1) + acetyl chloride (75-36-5) → N-(2-phenoxy-5-trifluoromethyl-phenyl)-acetamide

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 1.5h;

DOI:10.1016/j.bmc.2003.10.050

upstream raw materials:

2-nitro-1-phenoxy-4-(trifluoromethyl)benzene

Downstream raw materials:

2-Phenoxi-5-trifluormethyltrifluormethansulfonanilid

2-Bromo-1-(4-nitro-phenoxy)-4-trifluoromethyl-benzene

2-Fluoro-1-phenoxy-4-trifluoromethyl-benzene

1-Benzoyl-3-(2-phenoxy-5-trifluoromethyl-phenyl)-thiourea