Egonol

Base Information

• Chemical Name: Egonol
• CAS No.: 530-22-3
• Molecular Formula: C19H18O5
• Molecular Weight: 326.349
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID70967474
• Nikkaji Number: J86.422F
• Wikidata: Q27137901
• Metabolomics Workbench ID: 46469
• ChEMBL ID: CHEMBL470981
• Mol file: 530-22-3.mol

Synonyms:Egonol;530-22-3;3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propan-1-ol;2-(1,3-Benzodioxol-5-yl)-7-methoxy-5-benzofuranpropanol;CHEMBL470981;CHEBI:69558;5-(3-Hydroxypropyl)-7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran;5-Benzofuranpropanol, 2-(1,3-benzodioxol-5-yl)-7-methoxy-;3-(2-(benzo[d][1,3]dioxol-5-yl)-7-methoxybenzofuran-5-yl)propan-1-ol;3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propan-1-ol;5-(3''-Hydroxypropyl)-7-methoxy-2-(3',4'-methylenedioxyphenyl)benzofuran;SCHEMBL4183989;DTXSID70967474;BDBM50327911;Q27137901;2-(1,3-Benzodioxol-5-yl)-7-methoxy-5-benzofuranpropanol, 9CI;5-Benzofuranpropanol, 7-methoxy-2-[3,4-(methylenedioxy)phenyl]-;3-(2-Benzo[1,3]dioxol-5-yl-7-methoxy-benzofuran-5-yl)-propan-1-ol;3-[2-(1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]-1-propanol #;3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-benzofuran-5-yl]propan-1-ol;5-(2-Hydroxypropyl)-7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran

Chemical Property of Egonol

Chemical Property:

• Vapor Pressure: 1.88E-11mmHg at 25°C
• Melting Point: 118°C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 515.5°C at 760 mmHg
• Flash Point: 265.6°C
• PSA: 61.06000
• Density: 1.286g/cm³
• LogP: 3.76200
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 326.11542367
• Heavy Atom Count: 24
• Complexity: 417

Purity/Quality:

98%min ^*data from raw suppliers

EGONOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC2=C1OC(=C2)C3=CC4=C(C=C3)OCO4)CCCO

Technology Process of Egonol

There total 42 articles about Egonol 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: 99.0%

(5-(2-ethoxycarbonyl)ethyl)-7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran (1141886-65-8) → egonol (530-22-3)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; at 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1002/jhet.770

Reference yield: 92.0%

3-(2-(benzo[d][1,3]dioxol-5-yl)-7-methoxybenzo[b]furan-5-yl)propyl acetate (15434-00-1) → egonol (530-22-3)

Guidance literature:

With methanol; sodium hydroxide; Reflux;

DOI:10.1055/s-0029-1219224

Reference yield: 75.0%

7-methoxy-2-(3,4-methylenedioxyphenyl)-5-(3-tetrahydropyranyloxypropyl)benzofuran (164414-67-9) → egonol (530-22-3)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; for 1h; Ambient temperature; sonication;

upstream raw materials:

7-methoxy-2-(3,4-methylenedioxyphenyl)-5-(3-tetrahydropyranyloxypropyl)benzofuran

9'-nor-7,8-dehydro-Isolicarin B

benzo[1,3]dioxol-5-yl-chloro-acetic acid ethyl ester

3,4-(methylenedioxy)benzoyl chloride

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