2-Fluoro-4-isopropoxybenzoic acid

Base Information

• Chemical Name: 2-Fluoro-4-isopropoxybenzoic acid
• CAS No.: 289039-81-2
• Molecular Formula: C₁₀H₁₁FO₃
• Molecular Weight: 198.194
• Hs Code.: 2918990090
• European Community (EC) Number: 608-284-3
• DSSTox Substance ID: DTXSID10379077
• Wikidata: Q82168742
• Mol file: 289039-81-2.mol

Synonyms:2-Fluoro-4-isopropoxybenzoic acid;289039-81-2;2-Fluoro-4-iso-propyloxybenzoic acid;2-fluoro-4-propan-2-yloxybenzoic acid;2-Fluoro-4-isopropyloxybenzoic acid;SCHEMBL2590126;2-Fluoro-4-isopropoxybenzoicacid;DTXSID10379077;LFYMPARUPZDGHJ-UHFFFAOYSA-N;2-fluoro-4-isopropoxy-benzoic acid;MFCD00142916;AKOS006229378;BS-22219;2-FLUORO-4-ISO-PROPYLOXYBENZOICACID;CS-0195264;FT-0691676;A856698;A1-09186

Chemical Property of 2-Fluoro-4-isopropoxybenzoic acid

Chemical Property:

• Vapor Pressure: 0.00173mmHg at 25°C
• Refractive Index: 1.511
• Boiling Point: 281.1°C at 760 mmHg
• PKA: 3.72±0.10(Predicted)
• Flash Point: 123.8°C
• PSA: 46.53000
• Density: 1.211g/cm³
• LogP: 2.31110
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 198.06922237
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

95% ^*data from raw suppliers

2-Fluoro-4-isopropoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC(=C(C=C1)C(=O)O)F
• Uses: 2-Fluoro-4-isopropoxybenzoic acid is a useful chemical reagent.

Technology Process of 2-Fluoro-4-isopropoxybenzoic acid

There total 1 articles about 2-Fluoro-4-isopropoxybenzoic 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-fluoro-4-isopropoxybenzoic acid (289039-81-2)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 80 ℃; for 0.333333h;

Reference yield:

2-fluoro-4-isopropoxybenzoic acid (289039-81-2) + ((3R,5R)-3,5-dimethylpiperazin-1-yl)(2-fluoro-4-methoxyphenyl)methanone hydrochloride → ((3R,5R)-4-(2-fluoro-4-isopropoxybenzoyl)-3,5-dimethylpiperazin-1-yl)(2-fluoro-4-methoxyphenyl)methanone

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1021/acsmedchemlett.0c00145

Refernces