CHEMBRDG-BB 6560994

Base Information

• Chemical Name: CHEMBRDG-BB 6560994
• CAS No.: 64481-25-0
• Molecular Formula: C12H7FO4
• Molecular Weight: 234.18000
• Hs Code.: 2932999099
• Mol file: 64481-25-0.mol

Synonyms:RARECHEM AL BK 0739;

Chemical Property of CHEMBRDG-BB 6560994

Chemical Property:

• Vapor Pressure: 2.33E-06mmHg at 25°C
• Boiling Point: 377.1oC at 760 mmHg
• Flash Point: 181.9oC
• PSA: 67.51000
• Density: 1.563g/cm3
• LogP: 2.02990

Purity/Quality:

98% ^*data from raw suppliers

(2E)-3-(6-FLUORO-4-OXO-4H-CHROMEN-3-YL)ACRYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of CHEMBRDG-BB 6560994

There total 6 articles about CHEMBRDG-BB 6560994 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: 100.0%

6-fluorochromone-3-carboxaldehyde (69155-76-6) + malonic acid (141-82-2) → (E)-3-(6-fluoro-4-oxo-4H-chromene-3-yl) acrylic acid (64481-25-0)

Guidance literature:

With pyridine; at 110 ℃; for 1.5h;

Reference yield:

6-fluorochromone-3-carboxaldehyde (69155-76-6) + malonic acid (141-82-2) → C12H7FO4 (64481-25-0)

Guidance literature:

With pyridine; In ethanol; for 1h; Reflux;

DOI:10.1002/ejoc.201801159

Reference yield:

4-Fluorophenol (371-41-5) → (E)-3-(6-fluoro-4-oxo-4H-chromene-3-yl) acrylic acid (64481-25-0)

Guidance literature:

Multi-step reaction with 4 steps

1: dmap / tetrahydrofuran / 3 h / 30 °C

2: aluminum (III) chloride / 3 h / 140 °C

3: trichlorophosphate / 14 h / 50 - 55 °C

4: pyridine / 1.5 h / 110 °C

With pyridine; dmap; aluminum (III) chloride; trichlorophosphate; In tetrahydrofuran; 2: |Fries Phenol Ester Rearrangement / 3: |Vilsmeier-Haack Formylation / 4: |Knoevenagel Condensation;

upstream raw materials:

4-Fluorophenol

6-fluorochromone-3-carboxaldehyde

malonic acid

4-fluorophenyl acetate

Refernces

• 1、 Gao, Yuqi,Guo, Lei,Huang, Yi-You,Lai, Zengwei,Li, Xiangmin,Li, Zhe,Luo, Hai-Bin,Wu, Deyan,Wu, Yinuo,Yu, Yan-Fa,Zhang, Chen,Zhang, Sirui,Zhou, Qian. "Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors". . . Retrieved 2020/03/24.
• 2、 Sharma, Atul Kumar,Yadav, Preeti,Chand, Karam,Sharma, Sunil K.. "Synthesis and characterization of new N-alkylated pyridin-2(1H)-ones". . p. 492 - 500. Retrieved 2017/01/18.