4-FLUOROBENZOIC-D4 ACID

Base Information

• Chemical Name: 4-FLUOROBENZOIC-D4 ACID
• CAS No.: 93111-25-2
• Molecular Formula: C7HD4FO2
• Molecular Weight: 144.14
• Mol file: 93111-25-2.mol

Synonyms:4-Fluoro(2H₄)benzoic acid;benzoic-2,3,5,6-d4 acid, 4-fluoro-;4-Fluorobenzoic-d4 Acid;

Chemical Property of 4-FLUOROBENZOIC-D4 ACID

Chemical Property:

• Boiling Point: 253.687 °C at 760 mmHg
• Flash Point: 107.226 °C
• PSA: 37.30000
• Density: 1.358 g/cm³
• LogP: 1.52390

Purity/Quality:

99%min. ^*data from raw suppliers

4-FluorobenzoicAcid-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-Fluorobenzoic Acid-d4 is used as a reagent in the synthesis of Flurofamide-d4 (F596687); the isotope labelled analog of Fluorofamide (F596685) which is a compound that acts as a urease inhibitor, useful in the treatment of gastritis and irregular urease activity in the urinary tract.

Technology Process of 4-FLUOROBENZOIC-D4 ACID

There total 1 articles about 4-FLUOROBENZOIC-D4 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:

4-Fluorobenzoic acid (456-22-4) → 3-deutero-4-fluorobenzoic acid + 4-fluorobenzoic-3,5-d2 acid + 2,3,5,6-tetradeuterio-4-fluorobenzoic acid (93111-25-2)

Guidance literature:

With sulfuric acid-d2; at 120 - 180 ℃; Yields of byproduct given; repeated 2-3 times;

DOI:10.1021/ja00338a039

Reference yield: 53.0%

2,3,5,6-tetradeuterio-4-fluorobenzoic acid (93111-25-2) → 2,3,5,6-tetradeuterio-4-fluorobenzyl alcohol (93111-26-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Ambient temperature;

DOI:10.1021/ja00338a039

Reference yield:

2,3,5,6-tetradeuterio-4-fluorobenzoic acid (93111-25-2) → 4-fluorobenzoyl chloride-d4 (1071809-52-3)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; for 24h; Heating / reflux;

upstream raw materials:

4-Fluorobenzoic acid

Downstream raw materials:

2,3,5,6-tetradeuterio-4-fluorobenzyl alcohol

2,3,5,6-tetradeuterio-4-fluorobenzyl aldehyde

4-fluorobenzoyl chloride-d4

Refernces