3-Fluoro-4-propoxybenzoic acid

Base Information

• Chemical Name: 3-Fluoro-4-propoxybenzoic acid
• CAS No.: 203115-97-3
• Molecular Formula: C₁₀H₁₁FO₃
• Molecular Weight: 198.194
• DSSTox Substance ID: DTXSID901306692
• Mol file: 203115-97-3.mol

Synonyms:3-fluoro-4-propoxybenzoic acid;203115-97-3;3-Fluoro-4-n-propoxybenzoic acid;3-fluoro-4-propoxybenzoicacid;SCHEMBL1470380;LRODKDWZDVBONM-UHFFFAOYSA-N;DTXSID901306692;CS-0191281;E89608

Chemical Property of 3-Fluoro-4-propoxybenzoic acid

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 198.06922237
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCOC1=C(C=C(C=C1)C(=O)O)F

Technology Process of 3-Fluoro-4-propoxybenzoic acid

There total 2 articles about 3-Fluoro-4-propoxybenzoic 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) + 3-fluoro-4-propoxyiodobenzene (1608148-31-7) → 3-fluoro-4-propoxybenzoic acid (203115-97-3)

Guidance literature:

3-fluoro-4-propoxyiodobenzene; With n-butyllithium; In tetrahydrofuran; cyclohexane; at -78 - 50 ℃; for 0.5h;

carbon dioxide; In tetrahydrofuran; cyclohexane; at -78 - 20 ℃; for 0.5h;

Reference yield:

3-fluoro-4-hydroxybenzoic acid (350-29-8) + 1-iodo-propane (107-08-4) → 3-fluoro-4-propoxybenzoic acid (203115-97-3)

Guidance literature:

3-fluoro-4-hydroxybenzoic acid; With potassium carbonate; In acetonitrile; for 24h; Heating; Reflux;

1-iodo-propane; In acetonitrile; for 7h; Heating; Reflux;

With hydrogenchloride; sodium hydroxide; In ethanol; water; at 60 ℃;

Reference yield:

3-fluoro-4-propoxybenzoic acid (203115-97-3) → (3-Fluoro-4-propoxyphenyl)methanol (1029437-25-9)

Guidance literature:

3-fluoro-4-propoxybenzoic acid; With borane; In tetrahydrofuran; at 20 - 100 ℃;

With methanol; In tetrahydrofuran; at 100 ℃;

upstream raw materials:

3-fluoro-4-hydroxybenzoic acid

1-iodo-propane

carbon dioxide

3-fluoro-4-propoxyiodobenzene

Downstream raw materials:

(3-Fluoro-4-propoxyphenyl)methanol

Refernces

• 1、 -. "SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF THE SAME". Page/Page column 20. . Retrieved 2009/12/04.