Ethanol, 2-(2-methoxyethoxy)-, 4-aminobenzoate

Base Information

• Chemical Name: Ethanol, 2-(2-methoxyethoxy)-, 4-aminobenzoate
• CAS No.: 49744-35-6
• Molecular Formula: C12H17 N O4
• Molecular Weight: 239.271
• DSSTox Substance ID: DTXSID50885905
• Nikkaji Number: J320.013B
• Wikidata: Q82864604
• Mol file: 49744-35-6.mol

Synonyms:Ethanol, 2-(2-methoxyethoxy)-, 4-aminobenzoate;Ethanol, 2-(2-methoxyethoxy)-, 1-(4-aminobenzoate);EINECS 256-461-5;SCHEMBL4799894;DTXSID50885905;AKOS013509708;4-Aminobenzoic acid 2-(2-methoxyethoxy)ethyl ester;4-Aminobenzoic acid, 2-(2-methoxyethoxy)ethyl ester

Chemical Property of Ethanol, 2-(2-methoxyethoxy)-, 4-aminobenzoate

Chemical Property:

• Vapor Pressure: 1.2E-05mmHg at 25°C
• Boiling Point: 369.3°Cat760mmHg
• Flash Point: 162.2°C
• PSA: 70.78000
• Density: 1.148g/cm³
• LogP: 1.66980
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 239.11575802
• Heavy Atom Count: 17
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCOCCOC(=O)C1=CC=C(C=C1)N

Technology Process of Ethanol, 2-(2-methoxyethoxy)-, 4-aminobenzoate

There total 1 articles about Ethanol, 2-(2-methoxyethoxy)-, 4-aminobenzoate 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: 90.0%

2-(2-methoxyethoxy)ethyl alcohol (111-77-3,95507-80-5) + p-aminoethylbenzoate (94-09-7) → 2-(2-methoxyethoxy)ethyl 4-aminobenzoate (49744-35-6)

Guidance literature:

With potassium carbonate; at 75 - 80 ℃; for 7h;

DOI:10.1021/ja0547984

Reference yield: 95.0%

2-(2-methoxyethoxy)ethyl 4-aminobenzoate (49744-35-6) → 2-(2-methoxyethoxy)ethyl 4-amino-3,5-diiodobenzoate (862903-80-8)

Guidance literature:

With iodine; silver sulfate; In ethanol; at 20 ℃; for 1h;

DOI:10.1021/ja0547984

Reference yield:

2-(2-methoxyethoxy)ethyl 4-aminobenzoate (49744-35-6) + 3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridone (28141-13-1) → C21H24N4O6 (49744-26-5)

Guidance literature:

2-(2-methoxyethoxy)ethyl 4-aminobenzoate; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 1h;

3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridone; With sodium hydroxide; In water; at 0 ℃; for 0.166667h;

upstream raw materials:

2-(2-methoxyethoxy)ethyl alcohol

p-aminoethylbenzoate

Downstream raw materials:

2-(2-methoxyethoxy)ethyl 4-amino-3,5-diiodobenzoate

2-(2-methoxyethoxy)ethyl 4-amino-3-ethynyl-5-iodobenzoate

4-amino-3-iodo-5-trimethylsilanylethynyl-benzoic acid 2-(2-methoxy-ethoxy)-ethyl ester

C₂₈H₃₀I₂N₂O₈

Refernces