1,4-Benzodioxan-6-yl methyl ketone

Base Information

• Chemical Name: 1,4-Benzodioxan-6-yl methyl ketone
• CAS No.: 2879-20-1
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• Hs Code.: 29145090
• European Community (EC) Number: 220-726-3
• DSSTox Substance ID: DTXSID60182972
• Nikkaji Number: J306.801C
• Wikidata: Q27457055
• ChEMBL ID: CHEMBL4557075
• Mol file: 2879-20-1.mol

Synonyms:2879-20-1;1,4-Benzodioxan-6-yl methyl ketone;6-Acetyl-1,4-benzodioxane;1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone;1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone;1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one;Ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-;MFCD00006823;CHEMBL4557075;EINECS 220-726-3;1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-one;1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)ethanone;6-Acetyl-1,4-benzodioxan;4lm3;Maybridge1_002180;SCHEMBL102971;F0227-0156;3',4'-Ethylenedioxyacetophenone;HMS547L02;DTXSID60182972;CHEBI:194709;1,4-Benzodioxin, ethanone deriv.;1,4-benzodioxan-6-yl-methylketone;BCP23156;BDBM50532261;STK397465;AKOS000271132;Ketone, 1,4-benzodioxan-6-yl methyl;CS-W019478;FS-1308;SDCCGMLS-0065885.P001;6-Acetyl-2,3-dihydro-1,4-benzodioxin;AC-33828;SY021598;1,4-Benzodioxan-6-yl methyl ketone, 98%;AM20040096;EU-0000213;FT-0606772;EN300-01081;A25562;SR-01000389778;TERT-BUTYLTRANS-4-FORMYLCYCLOHEXYLCARBAMATE;1-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde;1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone #;1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone;Q-103516;SR-01000389778-1;Q27457055;Z56854473;3',4'-EthylenedioxyacetophenonE;1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethan-1-one;9ZE

Chemical Property of 1,4-Benzodioxan-6-yl methyl ketone

Chemical Property:

• Appearance/Colour: Almost white to slightly blue fine cryst. needles
• Vapor Pressure: 0.000487mmHg at 25°C
• Melting Point: 80-82 °C(lit.)
• Refractive Index: 1.54
• Boiling Point: 313.7 °C at 760 mmHg
• Flash Point: 134.5 °C
• PSA: 35.53000
• Density: 1.188 g/cm³
• LogP: 1.66040
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 0.5
• 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:

98%,99%, ^*data from raw suppliers

6-Acetylbenzodioxane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25-25-24

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(C=C1)OCCO2
• Uses: 1,4-Benzodioxan-6-yl methyl ketone may be used in the preparation of acetylenic alcohols.

Technology Process of 1,4-Benzodioxan-6-yl methyl ketone

There total 6 articles about 1,4-Benzodioxan-6-yl methyl ketone 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: 92.0%

benzo-1,4-dioxane (493-09-4) + acetyl chloride (75-36-5) → 1,4-benzodioxan-6-yl methyl ketone (2879-20-1)

Guidance literature:

Reference yield: 82.0%

1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-ol (7338-03-6) → 1,4-benzodioxan-6-yl methyl ketone (2879-20-1)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 0 - 20 ℃; for 16h; Inert atmosphere;

DOI:10.1016/j.ejmech.2015.10.004

Reference yield:

1-(3,4-dihydroxyphenyl)ethan-1-one (1197-09-7) + ethylene dibromide (106-93-4) → 1,4-benzodioxan-6-yl methyl ketone (2879-20-1)

Guidance literature:

upstream raw materials:

benzo-1,4-dioxane

1-(3,4-dihydroxyphenyl)ethan-1-one

ethylene dibromide

acetyl chloride

Downstream raw materials:

5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-methylimidazolidine-2,4-dione

5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxy-propan-2-yl)-2,6-di-n-propylphenoxy)butyl)-5-methylimidazolidine-2,4-dione

5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxy-propan-2-yl)-2-n-propylphenoxy)butyl)-5-methylimidazolidine-2,4-dione

Refernces

• 1、 Koura, Minoru,Matsuda, Takayuki,Okuda, Ayumu,Watanabe, Yuichiro,Yamaguchi, Yuki,Kurobuchi, Sayaka,Matsumoto, Yuuki,Shibuya, Kimiyuki. "Design, synthesis and pharmacology of 1,1-bistrifluoromethylcarbinol derivatives as liver X receptor β-selective agonists". . p. 2668 - 2674. Retrieved 2015/06/08.
• 2、 Butin, Alexander V.,Smirnov, Sergey K.,Stroganova, Tatyana A.,Bender, Wolfgang,Krapivin, Gennady D.. "Simple route to 3-(2-indolyl)-1-propanones via a furan recyclization reaction". . p. 474 - 491. Retrieved 2007/10/03.