Benzo-1,3-dioxol-5-ol acetate

Base Information

• Chemical Name: Benzo-1,3-dioxol-5-ol acetate
• CAS No.: 326-58-9
• Molecular Formula: C9H8 O4
• Molecular Weight: 180.16
• Hs Code.: 2932999099
• European Community (EC) Number: 206-310-4
• NSC Number: 21741
• UNII: NE56338MYA
• DSSTox Substance ID: DTXSID10954323
• Nikkaji Number: J193.743J
• Mol file: 326-58-9.mol

Synonyms:326-58-9;Benzo-1,3-dioxol-5-ol acetate;Benzo[d][1,3]dioxol-5-yl acetate;1,3-benzodioxol-5-yl acetate;AI3-21101;NE56338MYA;EINECS 206-310-4;NSC-21741;2H-1,3-BENZODIOXOL-5-YL ACETATE;NSC21741;UNII-NE56338MYA;5-acetoxy-1,3-benzodioxole;1,3-Benzodioxol-5-ol acetate;SCHEMBL1855445;DTXSID10954323;Benzo[d][1,3]dioxol-5-ylacetate;1,3-Benzodioxol-5-ol, 5-acetate;MFCD00016623;NSC 21741;AKOS003368864;BS-16584;CS-0155009;D83607

Chemical Property of Benzo-1,3-dioxol-5-ol acetate

Chemical Property:

• Vapor Pressure: 0.00564mmHg at 25°C
• Boiling Point: 273.7°Cat760mmHg
• Flash Point: 118.8°C
• PSA: 44.76000
• Density: 1.303g/cm³
• LogP: 1.34060
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 180.04225873
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

98%min ^*data from raw suppliers

SesamolAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1=CC2=C(C=C1)OCO2
• Uses: Sesamol Acetate could be a useful for preparing antifungal agents.

Technology Process of Benzo-1,3-dioxol-5-ol acetate

There total 9 articles about Benzo-1,3-dioxol-5-ol acetate 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%

Sesamol (533-31-3) + Isopropenyl acetate (108-22-5) → acetic acid benzo[1,3]dioxol-5-yl ester (326-58-9)

Guidance literature:

With iron(III) trifluoromethanesulfonate; at 20 ℃; for 5h; Schlenk technique;

DOI:10.1039/c8gc00037a

Reference yield: 98.0%

vinyl acetate (108-05-4,9003-20-7) + Sesamol (533-31-3) → acetic acid benzo[1,3]dioxol-5-yl ester (326-58-9)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In neat (no solvent); at 70 - 140 ℃; for 0.183333h; Microwave irradiation;

DOI:10.1039/c5nj01436k

Reference yield: 97.0%

Sesamol (533-31-3) + acetic anhydride (108-24-7) → acetic acid benzo[1,3]dioxol-5-yl ester (326-58-9)

Guidance literature:

With dmap; at 70 ℃; for 12h; Inert atmosphere;

DOI:10.1002/hlca.201000306

upstream raw materials:

Sesamol

acetic anhydride

acetyl chloride

peracetic acid

Downstream raw materials:

1-<4,5-(methylenedioxy)-2-hydroxyphenyl>ethanone

INV-75

1-acetoxy-2-bromo-4,5-methylenedioxybenzene

Sesamol

Refernces

• 1、 Ying, Zhekang,Desikan, Rajagopal,Xu, Xiaohua,Maiseyeu, Andrei,Liu, Cuiqing,Sun, Qinghua,Ziouzenkova, Ouiliana,Parthasarathy, Sampath,Rajagopalan, Sanjay. "Modified methylenedioxyphenol analogs lower LDL cholesterol through induction of LDL receptor expression". . p. 879 - 887. Retrieved 2012.
• 2、 -. "Synthesis process 3,4 -methylenedioxy phenol". Paragraph 0027; 0030; 0033; 0036; 0038; 0041; 0043; .... . Retrieved 2021/10/30.