4-Allyloxycoumarin

Base Information

• Chemical Name: 4-Allyloxycoumarin
• CAS No.: 31005-07-9
• Molecular Formula: C12H10 O3
• Molecular Weight: 202.21
• Hs Code.: 2932209090
• ChEMBL ID: CHEMBL1957180
• DSSTox Substance ID: DTXSID10408639
• Metabolomics Workbench ID: 73958
• Nikkaji Number: J1.624.429E
• Pharos Ligand ID: U48ZFCHGRRPN
• Wikidata: Q82214177
• Mol file: 31005-07-9.mol

Synonyms:4-ALLYLOXYCOUMARIN;31005-07-9;4-prop-2-enoxychromen-2-one;2H-1-Benzopyran-2-one, 4-(2-propen-1-yloxy)-;ST060206;CHEMBL1957180;4-Allyloxy-cumarin;4-Allyloxycoumarin, AldrichCPR;SCHEMBL8515316;DTXSID10408639;LWRKLYVFSHDLMU-UHFFFAOYSA-N;BDBM50366104;AKOS024283075

Chemical Property of 4-Allyloxycoumarin

Chemical Property:

• PSA: 39.44000
• LogP: 2.35780
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.062994177
• Heavy Atom Count: 15
• Complexity: 293

Purity/Quality:

98%Min ^*data from raw suppliers

4-Allyloxycoumarin Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC1=CC(=O)OC2=CC=CC=C21

Technology Process of 4-Allyloxycoumarin

There total 1 articles about 4-Allyloxycoumarin 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: 38.0%

4-hydroxy[1]benzopyran-2-one (1076-38-6,92395-12-5) + allyl bromide (106-95-6) → 4-allyloxy-2H-chromen-2-one (31005-07-9) + α,α-diallyl-o-hydroxyacetophenone (93912-00-6)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In dichloromethane; for 24h; Heating;

Reference yield: 99.0%

4-allyloxy-2H-chromen-2-one (31005-07-9) → 4-hydroxy[1]benzopyran-2-one (1076-38-6,92395-12-5)

Guidance literature:

With sodium hydrogen telluride; acetic acid; In ethanol; for 2h; Heating;

Reference yield:

4-allyloxy-2H-chromen-2-one (31005-07-9) → C19H16O3

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 120 h / 110 °C / Sealed tube

2: potassium carbonate / N,N-dimethyl-formamide / 12 h / 66 °C

With potassium carbonate; In N,N-dimethyl-formamide; toluene;

DOI:10.1002/ejoc.201900649

upstream raw materials:

4-hydroxy[1]benzopyran-2-one

allyl bromide

Downstream raw materials:

4-hydroxy[1]benzopyran-2-one

2-Allyl-3-(2-hydroxyphenyl)-1-thiomethylpropan-3-one