Acetamide, N-[3-[(2-cyanoethyl)amino]-4-methoxyphenyl]-

Base Information

• Chemical Name: Acetamide, N-[3-[(2-cyanoethyl)amino]-4-methoxyphenyl]-
• CAS No.: 26408-28-6
• Molecular Formula: C12H15N3O2
• Molecular Weight: 233.27
• Hs Code.: 2926909090
• European Community (EC) Number: 247-676-5
• UNII: MM2UUN6CZ2
• DSSTox Substance ID: DTXSID6067208
• Nikkaji Number: J59.984K
• Wikidata: Q72458107
• Mol file: 26408-28-6.mol

Synonyms:26408-28-6;Acetamide, N-[3-[(2-cyanoethyl)amino]-4-methoxyphenyl]-;N-[3-(2-cyanoethylamino)-4-methoxyphenyl]acetamide;3-(N-Cyanoethyl)amino-4-methoxyacetanilide;EINECS 247-676-5;N-[3-[(2-Cyanoethyl)amino]-4-methoxyphenyl]acetamide;3-CYANOETHYLAMINO-4-METHOXYACETANILIDE;C12H15N3O2;Acetamide, N-(3-((2-cyanoethyl)amino)-4-methoxyphenyl)-;N-(3-(2-cyanoethylamino)-4-methoxyphenyl)acetamide;N-(3-((2-Cyanoethyl)amino)-4-methoxyphenyl)acetamide;MM2UUN6CZ2;DTXSID6067208;SCHEMBL11027426;AKOS015890500;FT-0613836;5-Acetamido-N-(2-cyanoethyl)-2-methoxyaniline;3'-[(2-Cyanoethyl)amino]-4'-methoxyacetanilide;W-107173

Chemical Property of Acetamide, N-[3-[(2-cyanoethyl)amino]-4-methoxyphenyl]-

Chemical Property:

• Vapor Pressure: 2.64E-10mmHg at 25°C
• Refractive Index: 1.602
• Boiling Point: 504.517 °C at 760 mmHg
• PKA: 14.24±0.70(Predicted)
• Flash Point: 258.923 °C
• PSA: 74.15000
• Density: 1.213 g/cm³
• LogP: 2.12518
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 233.116426730
• Heavy Atom Count: 17
• Complexity: 297

Purity/Quality:

99% ^*data from raw suppliers

3-(N-CYANOETHYLAMINO-4-METHOXY ACETANILIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=C(C=C1)OC)NCCC#N

Technology Process of Acetamide, N-[3-[(2-cyanoethyl)amino]-4-methoxyphenyl]-

There total 2 articles about Acetamide, N-[3-[(2-cyanoethyl)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:

→ N-{3-[(2-cyanoethyl)amino]-4-methoxyphenyl}acetamide (26408-28-6)

Guidance literature:

o-Nitro-p-acetanisidin in Isobutanol, 1) H2 (Raney-Ni) --> (o-Amino-p-acetanisidin), 2) Acetonitril, Eg., Zinkchlorid (oder ZnSO4*7H2O);

Reference yield:

3-amino-4-methoxyacetanilide (6375-47-9) + acrylonitrile (107-13-1,25014-41-9) → N-{3-[(2-cyanoethyl)amino]-4-methoxyphenyl}acetamide (26408-28-6)

Guidance literature:

With hydrogenchloride; In water; at 80 - 90 ℃; for 46h;

Reference yield:

N-{3-[(2-cyanoethyl)amino]-4-methoxyphenyl}acetamide (26408-28-6) + 2-(trifluoromethyl)benzenamine (88-17-5) → C19H18F3N5O2

Guidance literature:

2-(trifluoromethyl)benzenamine; With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃;

N-{3-[(2-cyanoethyl)amino]-4-methoxyphenyl}acetamide; With sulfuric acid; In water; for 4h; Cooling with ice;

upstream raw materials:

3-amino-4-methoxyacetanilide

acrylonitrile

Downstream raw materials:

C₂₁H₂₀BrN₇O₆

C₁₅H₁₉N₃O₂

Refernces