2-(Benzyloxy)-5-(trifluoromethyl)benzoic acid

Base Information

• Chemical Name: 2-(Benzyloxy)-5-(trifluoromethyl)benzoic acid
• CAS No.: 53985-54-9
• Molecular Formula: C15H11F3O3
• Molecular Weight: 296.246
• European Community (EC) Number: 858-834-3
• DSSTox Substance ID: DTXSID70515595
• Wikidata: Q82376541
• Mol file: 53985-54-9.mol

Synonyms:2-(Benzyloxy)-5-(trifluoromethyl)benzoic acid;53985-54-9;2-phenylmethoxy-5-(trifluoromethyl)benzoic acid;2-[(Phenylmethyl)oxy]-5-(trifluoromethyl)benzoic acid;SCHEMBL4200632;DTXSID70515595;AKOS011997876;2-benzyloxy-5-trifluoromethylbenzoic acid;CS-0190321;E92754;EN300-1703856

Chemical Property of 2-(Benzyloxy)-5-(trifluoromethyl)benzoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 3.98260
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 296.06602869
• Heavy Atom Count: 21
• Complexity: 351

Purity/Quality:

99% ^*data from raw suppliers

2-(Benzyloxy)-5-(trifluoromethyl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(F)(F)F)C(=O)O

Technology Process of 2-(Benzyloxy)-5-(trifluoromethyl)benzoic acid

There total 4 articles about 2-(Benzyloxy)-5-(trifluoromethyl)benzoic 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:

2-chloro-5-(trifluoromethyl)benzonitrile (328-87-0) → 2-(benzyloxy)-5-(trifluoromethyl)benzoic acid (53985-54-9)

Guidance literature:

With benzyl alcohol; In water; dimethyl sulfoxide;

Reference yield:

sodium hydride powder + 2-chloro-5-(trifluoromethyl)benzonitrile (328-87-0) → 2-(benzyloxy)-5-(trifluoromethyl)benzoic acid (53985-54-9)

Guidance literature:

With hydrogenchloride; sodium hydroxide; benzyl alcohol; In diethyl ether; ethanol; water;

Reference yield:

2-hydroxy-5-(trifluoromethyl)benzoic acid (79427-88-6) → 2-(benzyloxy)-5-(trifluoromethyl)benzoic acid (53985-54-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone / 3 h / Reflux

2: lithium hydroxide / tetrahydrofuran; water / 3 h / Reflux

With potassium carbonate; lithium hydroxide; In tetrahydrofuran; water; acetone;

DOI:10.1016/j.bmcl.2018.11.054

upstream raw materials:

2-chloro-5-(trifluoromethyl)benzonitrile

2-hydroxy-5-(trifluoromethyl)benzoic acid

Downstream raw materials:

2-benzyloxy-N-(1⁽²⁾H-tetrazol-5-yl)-5-trifluoromethyl-benzamide

1-(2-(benzyloxy)-5-(trifluoromethyl)phenyl)ethanone

2-Benzyloxy-5-trifluoromethylbenzoic Acid Sodium Salt

2-hydroxy-N-(1⁽²⁾H-tetrazol-5-yl)-5-trifluoromethyl-benzamide

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