2-Bromo-1-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)ethanone
• CAS No.: 19815-97-5
• Molecular Formula: C₁₀H₉BrO₃
• Molecular Weight: 257.084
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID30383530
• Wikidata: Q82175295
• Mol file: 19815-97-5.mol

Synonyms:19815-97-5;2-bromo-1-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)ethanone;2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-ethanone;2-bromo-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone;2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethan-1-one;5-(Bromoacetyl)-1,4-benzodioxane;5-(Bromoacetyl)-2,3-dihydro-1,4-benzodioxine;SCHEMBL639330;DTXSID30383530;BSROYFIAEPSLCT-UHFFFAOYSA-N;MFCD04972617;AKOS015899991;AC-9354;MS-22189;CS-0359081;FT-0727177;E73749;A813964;W-206464;2-Bromo-1-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)ethan-1-one;2-Bromo-1-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)ethanone

Chemical Property of 2-Bromo-1-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)ethanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 71 °C
• Refractive Index: 1.587
• Boiling Point: 348.076 °C at 760 mmHg
• Flash Point: 164.311 °C
• PSA: 35.53000
• Density: 1.577 g/cm³
• LogP: 2.03540
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 255.97351
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

97% ^*data from raw suppliers

5-(Bromoacetyl)-2,3-dihydro-1,4-benzodioxine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-1-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)ethanone

There total 5 articles about 2-Bromo-1-(2,3-dihydrobenzo[b][1,4]dioxin-5-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: 84.0%

1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-ethanone (19813-62-8) → 2-bromo-1-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)ethanone (19815-97-5)

Guidance literature:

With phenyltrimethylammonium bromide dibromide; In tetrahydrofuran; at 0 - 20 ℃; for 2.5h; Inert atmosphere;

DOI:10.1016/j.ejmech.2015.10.004

Reference yield:

N-methoxy-N-methyl-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxamide (915390-36-2) → 2-bromo-1-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)ethanone (19815-97-5)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 2 h / 0 - 20 °C / Inert atmosphere

2: bromine / methanol / 1 h / Cooling with ice

With bromine; In tetrahydrofuran; methanol;

DOI:10.1016/j.ejmech.2020.112354

Reference yield:

2,3-dihydro-1,4-benzodioxine-5-carboxylic acid (4442-53-9) → 2-bromo-1-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)ethanone (19815-97-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: benzotriazol-1-ol / dichloromethane / 0.5 h / Inert atmosphere; Cooling with ice

1.2: 20 °C / Inert atmosphere

2.1: tetrahydrofuran / 2 h / 0 - 20 °C / Inert atmosphere

3.1: bromine / methanol / 1 h / Cooling with ice

With bromine; benzotriazol-1-ol; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1016/j.ejmech.2020.112354

upstream raw materials:

1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-ethanone

2,3-dihydro-benzo[1,4]dioxine-5-carbaldehyde

N-methoxy-N-methyl-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxamide

2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

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