2-(4-aminophenyl)-N,N-dimethylacetamide

Base Information

• Chemical Name: 2-(4-aminophenyl)-N,N-dimethylacetamide
• CAS No.: 81709-36-6
• Molecular Formula: C10H14N2O
• Molecular Weight: 178.234
• Hs Code.: 2924299090
• European Community (EC) Number: 868-701-1
• DSSTox Substance ID: DTXSID60510291
• Wikidata: Q72440574
• Mol file: 81709-36-6.mol

Synonyms:2-(4-aminophenyl)-N,N-dimethylacetamide;81709-36-6;2-(4-Amino-phenyl)-N,N-dimethyl-acetamide;F2189-0503;SCHEMBL4052270;DTXSID60510291;HKWHCRLGBUCCTI-UHFFFAOYSA-N;MFCD09734229;AKOS000111650;2-(4-Aminophenyl)N,N-dimethylacetamide;BS-36206;BB 0246523;FT-0737082;EN300-42590;L10071;Z270758276

Chemical Property of 2-(4-aminophenyl)-N,N-dimethylacetamide

Chemical Property:

• Vapor Pressure: 5.76E-05mmHg at 25°C
• Boiling Point: 346.4°C at 760 mmHg
• Flash Point: 163.3°C
• PSA: 46.33000
• Density: 1.1g/cm³
• LogP: 1.48070
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 178.110613074
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

2-(4-aminophenyl)-N,N-dimethylacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)CC1=CC=C(C=C1)N

Technology Process of 2-(4-aminophenyl)-N,N-dimethylacetamide

There total 5 articles about 2-(4-aminophenyl)-N,N-dimethylacetamide 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: 92.0%

N,N-dimethyl-2-(4-nitrophenyl)acetamide (90405-67-7) → 2-(4-Aminophenyl)N,N-dimethylacetamide (81709-36-6)

Guidance literature:

With iron; acetic acid; In neat liquid; at 50 ℃; for 0.25h;

DOI:10.1039/d0md00074d

Reference yield: 45.0%

→ 2-(4-Aminophenyl)N,N-dimethylacetamide (81709-36-6)

Guidance literature:

Reference yield:

4-nitrobenzeneacetic acid (104-03-0) → 2-(4-Aminophenyl)N,N-dimethylacetamide (81709-36-6)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂ / benzene / 65 - 70 °C

2: K₂CO₃ / H₂O; tetrahydrofuran / 12 h / 50 °C

3: H₂ / palladium on carbon / ethanol / 2585.7 Torr

With thionyl chloride; hydrogen; potassium carbonate; palladium on activated charcoal; In tetrahydrofuran; ethanol; water; benzene;

DOI:10.1002/jps.2600760106

upstream raw materials:

N,N-dimethyl-2-(4-nitrophenyl)acetamide

4-nitrobenzeneacetic acid

4-nitrophenylacetyl chloride

4-aminophenyl propionate

Downstream raw materials:

2-(4-Hydrazinophenyl)-N,N-dimethylacetamide, hydrochloride

1-<2-(dimethylamino)-1-(4-nitrophenyl)ethyl>cyclohexanol

1-<(4-aminophenyl)-2-(dimethylamino)ethyl>cyclohexanol

1-<(4-aminophenyl)<(dimethylamino)carbonyl>methyl>cyclohexanol