1-(7-Bromo-2,3-Dihydro-1,4-Benzodioxin-6-Yl)Ethan-1-One

Base Information

• Chemical Name: 1-(7-Bromo-2,3-Dihydro-1,4-Benzodioxin-6-Yl)Ethan-1-One
• CAS No.: 59820-90-5
• Molecular Formula: C₁₀H₉BrO₃
• Molecular Weight: 257.084
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID70370803
• Wikidata: Q72454537
• Mol file: 59820-90-5.mol

Synonyms:59820-90-5;2-BROMO-4,5-ETHYLENEDIOXYACETOPHENONE;1-(7-Bromo-2,3-Dihydro-1,4-Benzodioxin-6-Yl)Ethan-1-One;1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone;1-(7-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone;1-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;2'-Bromo-4',5'-(ethylenedioxy)acetophenone;Maybridge1_001972;HMS547B14;AMY1610;DTXSID70370803;MFCD00168681;STK298914;AKOS000112383;PS-5262;CS-0187928;FT-0605806;E75817;A832484;1-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone, AldrichCPR

Chemical Property of 1-(7-Bromo-2,3-Dihydro-1,4-Benzodioxin-6-Yl)Ethan-1-One

Chemical Property:

• Melting Point: 85-87 °C
• Boiling Point: 366.9 °C at 760 mmHg
• Flash Point: 175.7 °C
• PSA: 35.53000
• Density: 1.548 g/cm³
• LogP: 2.42290
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 255.97351
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

2''-Bromo-4'',5''-(ethylenedioxy)acetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(C=C1Br)OCCO2

Technology Process of 1-(7-Bromo-2,3-Dihydro-1,4-Benzodioxin-6-Yl)Ethan-1-One

There total 5 articles about 1-(7-Bromo-2,3-Dihydro-1,4-Benzodioxin-6-Yl)Ethan-1-One 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: 69.0%

acetyl chloride (75-36-5) + 6-bromo-1,4-benzodioxane (52287-51-1) → 7-acetyl-6-bromo-1,4-benzodioxane (59820-90-5)

Guidance literature:

With aluminum (III) chloride; In tetrachloromethane;

DOI:10.1134/S1070428018030065

Reference yield:

6,7-dibromo-2,3-dihydrobenzo[b][1,4]dioxine (25812-80-0) + acetyl chloride (75-36-5) → C10H8Br2O3 + C8H5Br3O2 + 7-acetyl-6-bromo-1,4-benzodioxane (59820-90-5)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 1 - 25 ℃; Inert atmosphere; Industrial scale;

DOI:10.1021/op0002040

Reference yield:

6-bromo-7-chloro-2,3-dihydro-benzo[1,4]dioxine (69464-32-0) + acetyl chloride (75-36-5) → C8H5Br3O2 + 7-acetyl-6-bromo-1,4-benzodioxane (59820-90-5) + C10H8BrClO3 + C10H8BrClO3 + C10H9ClO3

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 1 - 25 ℃; Inert atmosphere; Industrial scale;

DOI:10.1021/op0002040

upstream raw materials:

benzo-1,4-dioxane

6,7-dibromo-2,3-dihydrobenzo[b][1,4]dioxine

acetyl chloride

6-bromo-7-chloro-2,3-dihydro-benzo[1,4]dioxine

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