2-(methoxymethoxy)-5-(trifluoromethyl)benzoic Acid

Base Information

• Chemical Name: 2-(methoxymethoxy)-5-(trifluoromethyl)benzoic Acid
• CAS No.: 368422-27-9
• Molecular Formula: C10H9F3O4
• Molecular Weight: 250
• DSSTox Substance ID: DTXSID90473204
• Nikkaji Number: J1.594.347E
• Wikidata: Q82302440
• Mol file: 368422-27-9.mol

Synonyms:2-(methoxymethoxy)-5-(trifluoromethyl)benzoic Acid;368422-27-9;2-Methoxymethoxy-5-(trifluoromethyl)benzoic acid;2-(Methoxymethoxy)-5-(trifluoromethyl)benzoicacid;DTXSID90473204;KZAOVNBDPOMOLE-UHFFFAOYSA-N;CS-0191593;J-506455

Chemical Property of 2-(methoxymethoxy)-5-(trifluoromethyl)benzoic Acid

Chemical Property:

• PSA: 55.76000
• LogP: 2.38630
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 250.04529325
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

≥95% ^*data from raw suppliers

2-(Methoxymethoxy)-5-(trifluoromethyl)benzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCOC1=C(C=C(C=C1)C(F)(F)F)C(=O)O

Technology Process of 2-(methoxymethoxy)-5-(trifluoromethyl)benzoic Acid

There total 2 articles about 2-(methoxymethoxy)-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: 54.0%

carbon dioxide (124-38-9,18923-20-1) + 4-(trifluoromethyl)phenyl methoxymethyl ether (174265-24-8) → 2-methoxymethoxy-5-(trifluoromethyl)benzoic acid (368422-27-9)

Guidance literature:

With n-butyllithium; potassium tert-butylate; In tetrahydrofuran; hexane; at -75 ℃; for 2h;

DOI:10.1002/1099-0690(200108)2001:15<2911::AID-EJOC2911>3.0.CO;2-W

Reference yield:

4-hydroxybenzotrifluoride (402-45-9) → 2-methoxymethoxy-5-(trifluoromethyl)benzoic acid (368422-27-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / N-ethyldiisopropylamine / CH₂Cl₂ / 2 h / 25 °C

2: 54 percent / potassium tert-butoxide; butyllithium / tetrahydrofuran; hexane / 2 h / -75 °C

With n-butyllithium; potassium tert-butylate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; hexane; dichloromethane;

DOI:10.1002/1099-0690(200108)2001:15<2911::AID-EJOC2911>3.0.CO;2-W

Reference yield: 93.0%

2-methoxymethoxy-5-(trifluoromethyl)benzoic acid (368422-27-9) → 2-hydroxy-5-(trifluoromethyl)benzoic acid (79427-88-6)

Guidance literature:

With boron trifluoride diethyl etherate; In methanol; at 25 ℃; for 15h;

DOI:10.1002/1099-0690(200108)2001:15<2911::AID-EJOC2911>3.0.CO;2-W

upstream raw materials:

carbon dioxide

4-(trifluoromethyl)phenyl methoxymethyl ether

4-hydroxybenzotrifluoride

Downstream raw materials:

2-hydroxy-5-(trifluoromethyl)benzoic acid

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