2,2,2-Trifluoro-N-(2-hydroxy-5-methylphenyl)acetamide

Base Information

• Chemical Name: 2,2,2-Trifluoro-N-(2-hydroxy-5-methylphenyl)acetamide
• CAS No.: 144181-61-3
• Molecular Formula: C9H8F3NO2
• Molecular Weight: 219.163
• DSSTox Substance ID: DTXSID50576907
• Nikkaji Number: J1.139.828F
• Wikidata: Q82466786
• Mol file: 144181-61-3.mol

Synonyms:2,2,2-Trifluoro-N-(2-hydroxy-5-methylphenyl)acetamide;144181-61-3;SCHEMBL8549209;DTXSID50576907;BDDPAXWEOTUNHU-UHFFFAOYSA-N

Chemical Property of 2,2,2-Trifluoro-N-(2-hydroxy-5-methylphenyl)acetamide

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 219.05071298
• Heavy Atom Count: 15
• Complexity: 242

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(C=C1)O)NC(=O)C(F)(F)F

Technology Process of 2,2,2-Trifluoro-N-(2-hydroxy-5-methylphenyl)acetamide

There total 6 articles about 2,2,2-Trifluoro-N-(2-hydroxy-5-methylphenyl)acetamide 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: 67.0%

3-amino-4-fluorotoluene (452-84-6) + trifluoroacetic acid (76-05-1) → 2,2,2-trifluoro-N-(2-hydroxy-5-methylphenyl)acetamide (144181-61-3)

Guidance literature:

With Oxone; In 1,4-dioxane; at 90 ℃; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1055/s-0034-1379905

Reference yield: 64.0%

1-amino-3-methylbenzene (108-44-1) + trifluoroacetic acid (76-05-1) → 2,2,2-trifluoro-N-(2-hydroxy-5-methylphenyl)acetamide (144181-61-3)

Guidance literature:

With oxone; In 1,4-dioxane; at 90 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201402411

Reference yield:

diethyl 2-{[(3-methylphenyl)amino]methylene}propane-1,3-dioate (19056-83-8) + trifluoroacetic acid (76-05-1) → 2,2,2-trifluoro-N-(2-hydroxy-5-methylphenyl)acetamide (144181-61-3)

Guidance literature:

With Oxone; In 1,4-dioxane; at 90 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2015.05.042

upstream raw materials:

O-(4-methylphenyl)hydroxylamine

trifluoroacetic anhydride

3-amino-4-hydroxytoluene

1-amino-3-methylbenzene

Downstream raw materials:

7,16-bis(2-hydroxy-5-methyl-3-trifluoroacetamidobenzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

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