2-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethan-1-aminium

Base Information

• Chemical Name: 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethan-1-aminium
• CAS No.: 10554-64-0
• Molecular Formula: C10H13 N O2
• Molecular Weight: 179.219
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID70909591
• Wikidata: Q82879227
• Mol file: 10554-64-0.mol

Synonyms:10554-64-0;DTXSID70909591;2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-aminium

Chemical Property of 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethan-1-aminium

Chemical Property:

• Vapor Pressure: 0.0015mmHg at 25°C
• Boiling Point: 295.7°Cat760mmHg
• Flash Point: 144.4°C
• PSA: 44.48000
• Density: 1.157g/cm³
• LogP: 2.46130
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 180.102453689
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

2-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(O1)C=CC(=C2)CC[NH3+]

Technology Process of 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethan-1-aminium

There total 9 articles about 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethan-1-aminium 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: 61.0%

(E)-6-(2-nitrovinyl)-2,3-dihydro[1,4]benzodioxine (10554-65-1) → 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-amine (10554-64-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; Reagent/catalyst; Solvent;

DOI:10.1016/j.ejmech.2017.12.098

Reference yield: 50.0%

2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetonitrile (17253-10-0) → 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-amine (10554-64-0)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 18h;

DOI:10.1016/S0040-4020(01)00826-2

Reference yield:

3,4-ethylenedioxy-β-nitrostyrene → 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-amine (10554-64-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 6h;

DOI:10.1016/S0040-4020(01)00826-2

upstream raw materials:

3-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-propionic acid amide

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

3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propanoic acid

2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde

Downstream raw materials:

phenyl-acetic acid-[2-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethylamide]

N-[2-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethyl]-cyclohexanecarboxamide

C₂₆H₂₇NO₈S

C₂₆H₂₆FNO₈S