Acetamide, N-(3-((2-hydroxyethyl)amino)-4-methoxyphenyl)-

Base Information

• Chemical Name: Acetamide, N-(3-((2-hydroxyethyl)amino)-4-methoxyphenyl)-
• CAS No.: 63494-13-3
• Molecular Formula: C11H16N2O3
• Molecular Weight: 224.2563
• DSSTox Substance ID: DTXSID0069911
• Nikkaji Number: J429.594C
• Wikidata: Q81997016
• Mol file: 63494-13-3.mol

Synonyms:63494-13-3;Acetamide, N-(3-((2-hydroxyethyl)amino)-4-methoxyphenyl)-;Acetamide, N-[3-[(2-hydroxyethyl)amino]-4-methoxyphenyl]-;DTXSID0069911;SCHEMBL11144337;ACETAMIDE,N-[3-[(2-HYDROXYETHYL)AMINO]-4-METHOXYPHENYL]-;N-[3-[(2-Hydroxyethyl)amino]-4-methoxyphenyl]acetamide

Chemical Property of Acetamide, N-(3-((2-hydroxyethyl)amino)-4-methoxyphenyl)-

Chemical Property:

• Vapor Pressure: 1.2E-09mmHg at 25°C
• Boiling Point: 470.2°Cat760mmHg
• Flash Point: 238.2°C
• PSA: 74.08000
• Density: 1.245g/cm³
• LogP: 1.78030
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 224.11609238
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=C(C=C1)OC)NCCO

Technology Process of Acetamide, N-(3-((2-hydroxyethyl)amino)-4-methoxyphenyl)-

There total 8 articles about Acetamide, N-(3-((2-hydroxyethyl)amino)-4-methoxyphenyl)- 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%

acetamide (60-35-5) + N-(2-hydroxyethyl)-3-iodo-6-methoxyaniline → 3-[(2-hydroxyethyl)amino]-4-methoxyacetanilide (63494-13-3)

Guidance literature:

With potassium phosphate; copper(l) iodide; β-aminopropionic acid; In 1,4-dioxane; at 110 - 130 ℃; for 48h; Inert atmosphere; Sealed tube;

DOI:10.1021/jacs.5b06526

Reference yield:

Trifluoro-acetic acid 2-[(2-methoxy-5-nitro-phenyl)-(2,2,2-trifluoro-acetyl)-amino]-ethyl ester → 3-[(2-hydroxyethyl)amino]-4-methoxyacetanilide (63494-13-3)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / 5 percent Pd/C / ethyl acetate

2: K₂CO₃ / ethyl acetate / 1 h

3: 670 mg / K₂CO₃; MeOH / 2 h / 0 °C

With methanol; hydrogen; potassium carbonate; palladium on activated charcoal; In ethyl acetate;

DOI:10.1021/tx0000264

Reference yield:

3-[(2-hydroxyethyl)amino]-4-methoxynitrobenzene (74032-72-7) → 3-[(2-hydroxyethyl)amino]-4-methoxyacetanilide (63494-13-3)

Guidance literature:

Multi-step reaction with 4 steps

1: K₂CO₃ / CH₂Cl₂ / 1 h / 20 °C

2: H₂ / 5 percent Pd/C / ethyl acetate

3: K₂CO₃ / ethyl acetate / 1 h

4: 670 mg / K₂CO₃; MeOH / 2 h / 0 °C

With methanol; hydrogen; potassium carbonate; palladium on activated charcoal; In dichloromethane; ethyl acetate;

DOI:10.1021/tx0000264

upstream raw materials:

3-amino-4-methoxynitrobenzene

N-benzylidene-2-methoxy-5-nitroaniline

3-[(2-hydroxyethyl)amino]-4-methoxynitrobenzene

para-iodoanisole

Downstream raw materials:

2-[2-(acetylamino)-4-[(2-hydroxyethyl)amino]-5-methoxyphenyl]-6-amino-4-bromo-2H-benzotriazole

2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxy-5-[(2-hydroxyethyl)amino]acetanilide