3-Ethoxy-2,6-difluorobenzoic acid

Base Information

• Chemical Name: 3-Ethoxy-2,6-difluorobenzoic acid
• CAS No.: 651734-62-2
• Molecular Formula: C9H8F2O3
• Molecular Weight: 202.15500
• Hs Code.: 2918990090
• European Community (EC) Number: 681-948-8
• DSSTox Substance ID: DTXSID90593835
• Wikidata: Q82488425
• Mol file: 651734-62-2.mol

Synonyms:3-ETHOXY-2,6-DIFLUOROBENZOIC ACID;651734-62-2;Benzoic acid, 3-ethoxy-2,6-difluoro-;Benzoic acid, 3-ethoxy-2,6-difluoro- (9CI);SCHEMBL4398112;DTXSID90593835;3-ethoxy-2,6-difluoro-benzoic acid;MFCD11519368;AKOS015956832;3-ETHOXY-2,6-DIFLUOROBENZOICACID;AS-35533;DB-285641;CS-0190905;EN300-120240;Z1269157393

Chemical Property of 3-Ethoxy-2,6-difluorobenzoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 2.06170
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 202.04415044
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

99%min ^*data from raw suppliers

3-Ethoxy-2,6-difluorobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C(=C(C=C1)F)C(=O)O)F

Technology Process of 3-Ethoxy-2,6-difluorobenzoic acid

There total 1 articles about 3-Ethoxy-2,6-difluorobenzoic 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: 80.0%

carbon dioxide (124-38-9,18923-20-1) + 1,3-difluoro-4-ethoxybenzene (348-20-9) → 3-ethoxy-2,6-difluoro-benzoic acid (651734-62-2)

Guidance literature:

1,3-difluoro-4-ethoxybenzene; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 1.5h;

carbon dioxide; In tetrahydrofuran; at -78 ℃; for 1h;

With hydrogenchloride; In tetrahydrofuran; water; at 0 ℃; pH=2 - 3;

upstream raw materials:

carbon dioxide

1,3-difluoro-4-ethoxybenzene

Refernces

• 1、 -. "Kinase inhibitors". Page 14. . Retrieved 2010/11/30.