1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethanone

Base Information

• Chemical Name: 1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethanone
• CAS No.: 1011-48-9
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• Hs Code.: 2932999099
• European Community (EC) Number: 213-783-0
• UNII: G7TKT32H5K
• DSSTox Substance ID: DTXSID80905943
• Nikkaji Number: J217.130I
• Mol file: 1011-48-9.mol

Synonyms:1011-48-9;1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethanone;1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethan-1-one;1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone;1-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)ethan-1-one;G7TKT32H5K;1-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-ethanone;EINECS 213-783-0;1-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)ethanone;2-acetyl-2,3-dihydro-1,4-benzodioxin;2-acetylbenzodioxane;EC-000.1638;UNII-G7TKT32H5K;2-acetyl-1,4-benzodioxane;SCHEMBL407262;DTXSID80905943;2-ACETYL-1,4-BENZODIOXAN;BAA01148;BBL028620;MFCD00457680;STK835309;AKOS000588915;AKOS016043539;MB01186;VS-08875;CS-0272114;FT-0600230;A19523;EN300-1850837;Ethanone, 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-;1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethanone, AldrichCPR

Chemical Property of 1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethanone

Chemical Property:

• Appearance/Colour: white
• Vapor Pressure: 0.00366mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 280.974 °C at 760 mmHg
• Flash Point: 114.466 °C
• PSA: 35.53000
• Density: 1.191 g/cm³
• LogP: 1.41540
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

1-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1COC2=CC=CC=C2O1

Technology Process of 1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethanone

There total 2 articles about 1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethanone 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: 47.0%

2-cyano-1,4-benzodioxane (1008-92-0) + methyl iodide (74-88-4) → 2-acetyl-2,3-dihydro-1,4-benzodioxin (1011-48-9)

Guidance literature:

methyl iodide; With iodine; magnesium; In diethyl ether; benzene; for 1h; Reflux;

2-cyano-1,4-benzodioxane; In diethyl ether; benzene; for 6h; Reflux;

DOI:10.1134/S1070428016020159

Reference yield:

→ 2-acetyl-2,3-dihydro-1,4-benzodioxin (1011-48-9)

Guidance literature:

Brenzkatechin, 3,4-Dibrom-butan-2-on, K2CO3, KI (wenig) ;

DOI:10.1021/jm00328a008

Reference yield: 72.0%

2-acetyl-2,3-dihydro-1,4-benzodioxin (1011-48-9) → 2-bromo-1-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)ethanone (1014-18-2)

Guidance literature:

With bromine; calcium carbonate; In diethyl ether; hexane; at 16 - 18 ℃; for 1h;

DOI:10.1134/S1070428016020159

upstream raw materials:

2-cyano-1,4-benzodioxane

methyl iodide

Downstream raw materials:

2-bromo-1-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)ethanone

Refernces

• 1、 Augtein,Green,Monro,Potter,Worthing,Wrigley. "Adrenergic neurone blocking agents derived from 1,4-benzodioxan.". . p. 446 - 456. Retrieved 2007/10/04.