3,5-Difluoro-2-methoxybenzoic acid

Base Information

• Chemical Name: 3,5-Difluoro-2-methoxybenzoic acid
• CAS No.: 180068-67-1
• Molecular Formula: C8H6F2O3
• Molecular Weight: 188.13
• Hs Code.: 2918290090
• European Community (EC) Number: 630-287-3,642-750-7
• DSSTox Substance ID: DTXSID70939297
• Wikidata: Q82915760
• Mol file: 180068-67-1.mol

Synonyms:3,5-Difluoro-2-methoxybenzoic acid;886498-75-5;3,5-Difluoro-2-methoxy-benzoic acid;SCHEMBL4779756;DTXSID70939297;AMY14396;MFCD06660198;AKOS006345920;AS-43719;DB-078093;CS-0262960;A20300;EN300-844637;3,5-difluoro-2-methoxybenzoic acid, AldrichCPR;A861608

Chemical Property of 3,5-Difluoro-2-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 0.000762mmHg at 25°C
• Boiling Point: 293.9°C at 760 mmHg
• Flash Point: 131.6°C
• PSA: 46.53000
• Density: 1.399g/cm³
• LogP: 1.67160
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 188.02850037
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

Methyl3,5-difluoro-2-hydroxybenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1F)F)C(=O)O

Technology Process of 3,5-Difluoro-2-methoxybenzoic acid

There total 3 articles about 3,5-Difluoro-2-methoxybenzoic 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: 81.0%

methanol (67-56-1) + 3,5-difluoro-2-hydroxy-benzoic acid (84376-20-5) → methyl 3,5-difluorosalicylate (180068-67-1)

Guidance literature:

With sulfuric acid; at 50 ℃;

DOI:10.1080/00397919608004595

Reference yield:

2,4-difluorophenol (367-27-1) → methyl 3,5-difluorosalicylate (180068-67-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 79.3 percent / trifluoroacetic acid / 28 h / Heating

2: 73.1 percent / NaH₂PO₄, NaClO₂, NH₂SO₃H, Na₂SO₃ / dioxane / 0.25 h

3: 81 percent / H₂SO₄ / 50 °C

With sodium chlorite; sodium dihydrogenphosphate; sulfuric acid; aminosulfonic acid; sodium sulfite; In 1,4-dioxane; trifluoroacetic acid;

DOI:10.1080/00397919608004595

Reference yield:

3,5-difluorosalicylaldehyde (63954-77-8) → methyl 3,5-difluorosalicylate (180068-67-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 73.1 percent / NaH₂PO₄, NaClO₂, NH₂SO₃H, Na₂SO₃ / dioxane / 0.25 h

2: 81 percent / H₂SO₄ / 50 °C

With sodium chlorite; sodium dihydrogenphosphate; sulfuric acid; aminosulfonic acid; sodium sulfite; In 1,4-dioxane;

DOI:10.1080/00397919608004595

upstream raw materials:

methanol

3,5-difluoro-2-hydroxy-benzoic acid

2,4-difluorophenol

3,5-difluorosalicylaldehyde