N-[3-(1-aminoethyl)phenyl]acetamide

Base Information

• Chemical Name: N-[3-(1-aminoethyl)phenyl]acetamide
• CAS No.: 918810-76-1
• Molecular Formula: C10H14N2O
• Molecular Weight: 178.234
• European Community (EC) Number: 873-851-6
• ChEMBL ID: CHEMBL4521695
• DSSTox Substance ID: DTXSID10588566

Synonyms:N-[3-(1-aminoethyl)phenyl]acetamide;918810-76-1;N-(3-(1-Aminoethyl)phenyl)acetamide;Acetamide, N-[3-(1-aminoethyl)phenyl]-;SCHEMBL4362389;CHEMBL4521695;DTXSID10588566;MKUVXAZZKXTGOK-UHFFFAOYSA-N;AKOS000145562;AKOS022475126;MCULE-7878560094;DB-114983;CS-0245813;EN300-31179;G26926;Z278079466

Chemical Property of N-[3-(1-aminoethyl)phenyl]acetamide

Chemical Property:

• PSA: 58.61000
• LogP: 3.01450
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 178.110613074
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

N-[3-(1-aminoethyl)phenyl]acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N-[3-(1-aminoethyl)phenyl]acetamide

There total 2 articles about N-[3-(1-aminoethyl)phenyl]acetamide 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:

3-Acetamidoacetophenone (7463-31-2) → N-(3-(1-Aminoethyl)phenyl)acetamide (918810-76-1)

Guidance literature:

3-Acetamidoacetophenone; With ammonium acetate; sodium cyanoborohydride; In methanol; at 20 ℃; for 48h;

With hydrogenchloride; In methanol; water; pH=2;

With sodium hydroxide; In water; pH=10;

Reference yield:

N-[3-(1-hydroxyiminoethyl)phenyl]acetamide (39569-37-4) → N-(3-(1-Aminoethyl)phenyl)acetamide (918810-76-1)

Guidance literature:

With ammonium hydroxide; hydrogen; nickel; In ethanol; for 48h; under 2585.81 Torr;

DOI:10.1016/j.bmc.2009.03.041

Reference yield: 12.0%

N-(3-(1-Aminoethyl)phenyl)acetamide (918810-76-1) + 3-ethoxy-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione (159596-50-6,446861-48-9) → N-[3-(1-{[3,4-dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1-yl]amino}ethyl)phenyl]acetamide (1105678-41-8)

Guidance literature:

In ethanol; at 125 ℃; for 0.5h; Microwave irradiation;

DOI:10.1016/j.bmc.2009.03.041

upstream raw materials:

3-Acetamidoacetophenone

N-[3-(1-hydroxyiminoethyl)phenyl]acetamide

Downstream raw materials:

N-[3-(1-{[3,4-dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1-yl]amino}ethyl)phenyl]acetamide

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