1-(7-Amino-2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone

Base Information

• Chemical Name: 1-(7-Amino-2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone
• CAS No.: 164526-13-0
• Molecular Formula: C10H11NO3
• Molecular Weight: 193.202
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID70385391
• Wikidata: Q82178145
• Mol file: 164526-13-0.mol

Synonyms:164526-13-0;1-(7-Amino-2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone;1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-(7-Amino-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone;1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone;1-(7-Amino-2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one;Ethanone, 1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-;AMMONIUMFORMATE-D5;Cambridge id 5216232;1-(7-Amino-2,3-dihydrobenzo[1,4]dioxin-6-yl)ethanone;SCHEMBL21721961;DTXSID70385391;IYNHYCZHYHZGMW-UHFFFAOYSA-N;7-acetyl-6-amino-1,4-benzodioxane;STK049378;AKOS000302863;FT-0677694;A882446;SR-01000404083;SR-01000404083-1

Chemical Property of 1-(7-Amino-2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone

Chemical Property:

• Vapor Pressure: 4.5E-06mmHg at 25°C
• Boiling Point: 383.1oC at 760 mmHg
• Flash Point: 217.3oC
• PSA: 61.55000
• Density: 1.269g/cm3
• LogP: 1.82380
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

1-(7-Amino-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(C=C1N)OCCO2

Technology Process of 1-(7-Amino-2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone

There total 3 articles about 1-(7-Amino-2,3-dihydro-benzo[1,4]dioxin-6-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: 79.0%

1-(7-nitro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-one (57672-32-9) → 1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethanone (164526-13-0)

Guidance literature:

1-(7-nitro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-one; With iron; In benzene; at 75 ℃; for 0.5h;

With water; In benzene; at 80 ℃;

DOI:10.1007/s10593-010-0409-1

Reference yield:

1,4-benzodioxan-6-yl methyl ketone (2879-20-1) → 1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethanone (164526-13-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 56 percent / HNO₃; AcOH / 0.5 h / 0 - 20 °C

2: 65 percent / Fe; AcOH / H₂O; ethyl acetate / 6 h / Heating

With nitric acid; iron; acetic acid; In water; ethyl acetate;

DOI:10.1016/j.tet.2006.10.056

Reference yield:

benzo-1,4-dioxane (493-09-4) → 1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethanone (164526-13-0)

Guidance literature:

Multi-step reaction with 3 steps

1: AlCl₃ / benzene / 2.5 h / 55 - 60 °C

2: 56 percent / HNO₃; AcOH / 0.5 h / 0 - 20 °C

3: 65 percent / Fe; AcOH / H₂O; ethyl acetate / 6 h / Heating

With aluminium trichloride; nitric acid; iron; acetic acid; In water; ethyl acetate; benzene; 1: Friedel-Crafts reaction;

DOI:10.1016/j.tet.2006.10.056

upstream raw materials:

1-(7-nitro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-one

benzo-1,4-dioxane

1,4-benzodioxan-6-yl methyl ketone

Downstream raw materials:

7-bromoacetamide-6-acetyl-1,4-benzodioxane

C₁₆H₁₄N₂O₃

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