(4-Ethoxyphenyl)methyl-(furan-2-ylmethyl)azanium

Base Information

• Chemical Name: (4-Ethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
• CAS No.: 436096-81-0
• Molecular Formula: C14H17 N O2
• Molecular Weight: 231.294
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID40963069
• Wikidata: Q82944873
• Mol file: 436096-81-0.mol

Synonyms:(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)azanium;DTXSID40963069;(4-ethoxyphenyl)methyl-(2-furanylmethyl)ammonium;A826369;(4-Ethoxyphenyl)-N-[(furan-2-yl)methyl]methanaminium

Chemical Property of (4-Ethoxyphenyl)methyl-(furan-2-ylmethyl)azanium

Chemical Property:

• Vapor Pressure: 0.000116mmHg at 25°C
• Boiling Point: 335.9°Cat760mmHg
• Flash Point: 156.9°C
• PSA: 34.40000
• Density: g/cm³
• LogP: 3.35900
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 232.133753817
• Heavy Atom Count: 17
• Complexity: 202

Purity/Quality:

97% ^*data from raw suppliers

[(4-Ethoxyphenyl)methyl](furan-2-ylmethyl)amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C[NH2+]CC2=CC=CO2

Technology Process of (4-Ethoxyphenyl)methyl-(furan-2-ylmethyl)azanium

There total 2 articles about (4-Ethoxyphenyl)methyl-(furan-2-ylmethyl)azanium 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%

furan-2-ylmethanamine (617-89-0) + 4-ethoxybenzaldehyde (10031-82-0) → N-(4-ethoxybenzyl)-1-(furan-2-yl)methanamine (436096-81-0)

Guidance literature:

furan-2-ylmethanamine; 4-ethoxybenzaldehyde; With acetic acid; trimethyl orthoformate; In methanol; at 20 ℃; for 16h; Inert atmosphere;

With sodium tetrahydroborate; In methanol; at 20 ℃; for 2h;

Reference yield: 80.0%

furan-2-ylmethanamine (617-89-0) + 4-ethoxybenzaldehyde (10031-82-0) + trimethyl orthoformate (149-73-5) → N-(4-ethoxybenzyl)-1-(furan-2-yl)methanamine (436096-81-0)

Guidance literature:

With sodium borohydrid; acetic acid; triethylamine; In methanol; ethyl acetate;

Reference yield:

N-(4-ethoxybenzyl)-1-(furan-2-yl)methanamine (436096-81-0) + p-cyanobenzenesulfonyl chloride (49584-26-1) → 4-(N-(4-ethoxybenzyl)-N-(furan-2-ylmethyl)sulfamoyl)benzoic acid (483978-20-7)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane

2: sodium hydroxide / 1,4-dioxane; water / 16 h / 80 °C

With triethylamine; sodium hydroxide; In 1,4-dioxane; dichloromethane; water;

upstream raw materials:

furan-2-ylmethanamine

4-ethoxybenzaldehyde

trimethyl orthoformate

Downstream raw materials:

4-(N-(4-ethoxybenzyl)-N-(furan-2-ylmethyl)sulfamoyl)benzoic acid