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

Base Information

• Chemical Name: N-(7-Amino-2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide
• CAS No.: 99068-59-4
• Molecular Formula: C₁₀H₁₂N₂O₃
• Molecular Weight: 208.217
• Hs Code.: 2932999099
• European Community (EC) Number: 664-098-2
• DSSTox Substance ID: DTXSID60389823
• Mol file: 99068-59-4.mol

Synonyms:99068-59-4;N-(7-Amino-2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide;N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;N-(7-Amino-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide;BAS 03213139;TimTec1_007023;Oprea1_069998;Oprea1_873621;DTXSID60389823;LJXBBVIIWHUUSY-UHFFFAOYSA-N;HMS1553P05;AKOS000300408;FT-0676682;SR-01000313984;SR-01000313984-1;ACETAMIDE,N-(7-AMINO-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-

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

Chemical Property:

• Vapor Pressure: 8.27E-08mmHg at 25°C
• Boiling Point: 436.2°Cat760mmHg
• Flash Point: 217.6°C
• PSA: 73.58000
• Density: 1.354g/cm³
• LogP: 1.65260
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 208.08479225
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

N-(7-Amino-2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC2=C(C=C1N)OCCO2

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

There total 4 articles about N-(7-Amino-2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide 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: 80.0%

6-acetamido-7-nitro-2,3-dihydro-1,4-benzodioxine (63546-22-5) → 6-acetamido-7-amino-2,3-dihydro-1,4-benzodioxine (99068-59-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 18h; under 760 Torr;

DOI:10.1016/S0040-4020(02)00500-8

Reference yield:

N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide (63546-19-0) → 6-acetamido-7-amino-2,3-dihydro-1,4-benzodioxine (99068-59-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / HNO₃; AcOH / 20 °C

2: 80 percent / H₂ / Pd/C / methanol / 18 h / 760 Torr

With hydrogen; nitric acid; acetic acid; palladium on activated charcoal; In methanol;

DOI:10.1016/S0040-4020(02)00500-8

Reference yield:

6-amino-3,4-benzodioxane (22013-33-8) → 6-acetamido-7-amino-2,3-dihydro-1,4-benzodioxine (99068-59-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 87 percent / 8 h / 140 °C

2: 88 percent / HNO₃; AcOH / 20 °C

3: 80 percent / H₂ / Pd/C / methanol / 18 h / 760 Torr

With hydrogen; nitric acid; acetic acid; palladium on activated charcoal; In methanol;

DOI:10.1016/S0040-4020(02)00500-8

upstream raw materials:

6-acetamido-7-nitro-2,3-dihydro-1,4-benzodioxine

N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide

6-amino-3,4-benzodioxane

Refernces