Loxoprofen Ring-opening IMpurity

Base Information

• Chemical Name: Loxoprofen Ring-opening IMpurity
• CAS No.: 1091621-61-2
• Molecular Formula: C₁₅H₁₈O₅
• Molecular Weight: 278.305
• Mol file: 1091621-61-2.mol

Synonyms:

Chemical Property of Loxoprofen Ring-opening IMpurity

Chemical Property:

• Boiling Point: 504.8±35.0 °C(Predicted)
• PKA: 4.32±0.10(Predicted)
• Density: 1.238±0.06 g/cm3(Predicted)

Purity/Quality:

98% ^*data from raw suppliers

4-(1-Carboxyethyl)-δ-oxo-benzenehexanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 4-(1-Carboxyethyl)-δ-oxo-benzenehexanoic Acid is a degradation product of Loxoprofen (L472900, Na salt), a non-selective nonsteroidal anti-inflammatory drug (NSAID) that has been effective in reducing atherosclerosis in mice by reducing inflammation. It becomes active after metabolism in the body and inhibits the activation of cyclooxygenase.

Technology Process of Loxoprofen Ring-opening IMpurity

There total 3 articles about Loxoprofen Ring-opening IMpurity 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: 72.0%

C15H16O3 → 6-(4-(1-carboxyethyl)phenyl)-5-oxohexanoic acid (1091621-61-2)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In ethanol; at 0 - 30 ℃; for 4h; Temperature; Reagent/catalyst;

Reference yield:

2-[(p-chloromethyl)phenyl]propionic acid (80530-55-8) → 6-(4-(1-carboxyethyl)phenyl)-5-oxohexanoic acid (1091621-61-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hexamethylenetetramine / chloroform / 6 h / 63 - 65 °C

1.2: 2 h / Reflux

2.1: toluene / 6 h / 115 °C

3.1: dihydrogen peroxide; sodium hydroxide / ethanol / 4 h / 0 - 30 °C

With hexamethylenetetramine; dihydrogen peroxide; sodium hydroxide; In ethanol; chloroform; toluene;

Reference yield:

2-[4-(bromomethyl)phenyl]propanoic acid (111128-12-2) → 6-(4-(1-carboxyethyl)phenyl)-5-oxohexanoic acid (1091621-61-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hexamethylenetetramine / chloroform / 6 h / 63 - 65 °C

1.2: 2 h / Reflux

2.1: toluene / 6 h / 115 °C

3.1: dihydrogen peroxide; sodium hydroxide / ethanol / 4 h / 0 - 30 °C

With hexamethylenetetramine; dihydrogen peroxide; sodium hydroxide; In ethanol; chloroform; toluene;

upstream raw materials:

2-[(p-chloromethyl)phenyl]propionic acid

2-[4-(bromomethyl)phenyl]propanoic acid