7-(3-Bromopropoxy)-chromen-2-one

Base Information

• Chemical Name: 7-(3-Bromopropoxy)-chromen-2-one
• CAS No.: 69150-28-3
• Molecular Formula: C₁₂H₁₁BrO₃
• Molecular Weight: 283.122
• DSSTox Substance ID: DTXSID50373756
• Wikidata: Q82162086
• ChEMBL ID: CHEMBL4858247
• Mol file: 69150-28-3.mol

Synonyms:69150-28-3;7-(3-Bromopropoxy)-chromen-2-one;7-(3-bromopropoxy)-2H-chromen-2-one;7-(3-bromopropoxy)chromen-2-one;7-(3-bromo-propoxy)-chromen-2-one;7-(3-bromopropoxy)coumarin;SCHEMBL7883068;CHEMBL4858247;7-(gamma-bromopropyloxy)coumarin;DTXSID50373756;7-(gamma-bromopropyloxy) coumarin;ASDNDKTVOWYXTH-UHFFFAOYSA-N

Chemical Property of 7-(3-Bromopropoxy)-chromen-2-one

Chemical Property:

• Boiling Point: 431.7±45.0 °C(Predicted)
• Density: 1.511±0.06 g/cm3(Predicted)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 281.98916
• Heavy Atom Count: 16
• Complexity: 277

Purity/Quality:

98%min ^*data from raw suppliers

7-(3-Bromopropoxy)-2H-chromen-2-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CC(=O)O2)OCCCBr

Technology Process of 7-(3-Bromopropoxy)-chromen-2-one

There total 4 articles about 7-(3-Bromopropoxy)-chromen-2-one 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%

7-hydroxy-2H-chromen-2-one (93-35-6) + 1,3-dibromo-propane (109-64-8) → 7-(3-bromopropoxy)?2H-chromen-2-one (69150-28-3)

Guidance literature:

With potassium carbonate; In acetone; for 12h; Reflux;

DOI:10.1039/c7cc04799a

Reference yield: 69.0%

7-hydroxy-2H-chromen-2-one (93-35-6) + propyl bromide (106-94-5) → 7-(3-bromopropoxy)?2H-chromen-2-one (69150-28-3)

Guidance literature:

With potassium carbonate; In acetone; for 4h; Reflux;

DOI:10.1016/j.ejmech.2015.03.040

Reference yield:

recorcinol (108-46-3) → 7-(3-bromopropoxy)?2H-chromen-2-one (69150-28-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / 3 h / 20 - 100 °C

2: potassium carbonate / acetone / 4 h / Reflux

With sulfuric acid; potassium carbonate; In acetone; 1: |von Pechmann Cycloaddition;

DOI:10.1016/j.ejmech.2013.03.051

upstream raw materials:

7-hydroxy-2H-chromen-2-one

1,3-dibromo-propane

recorcinol

propyl bromide

Refernces

• 1、 Litinas, Konstantinos E.,Petrovi?, Vladimir P.,Petrovi?, Zorica D.,Simijonovi?, Du?ica,Vlachou, Evangelia-Eirini N.. "Synthesis, structural characterization, and molecular docking study of new phthalhydrazide-coumarin hybrids". . . Retrieved 2021.
• 2、 Chen, Jiong,Hu, Yang,Liu, Lei,Qiu, Tianxiu,Shan, Lipeng. "Synthesis and biological evaluation of novel coumarin derivatives in rhabdoviral clearance". supporting information. . Retrieved 2021/08/10.
• 3、 Arora, Saroj,Attri, Shivani,Bhagat, Kavita,Kaur Gulati, Harmandeep,Kaur, Prabhjot,Kumar, Nitish,Mohinder Singh Bedi, Preet,Sharma, Sahil,Singh, Atamjit,Singh, Harbinder,Vir Singh, Jatinder. "New coumarin-benzotriazole based hybrid molecules as inhibitors of acetylcholinesterase and amyloid aggregation". . . Retrieved 2020/08/17.