2-Cyano-2-(4-methoxyphenyl)acetamide

Base Information

• Chemical Name: 2-Cyano-2-(4-methoxyphenyl)acetamide
• CAS No.: 5446-57-1
• Molecular Formula: C10H10 N2 O2
• Molecular Weight: 190.2
• Hs Code.: 2926909090
• NSC Number: 17326
• DSSTox Substance ID: DTXSID70280519
• Mol file: 5446-57-1.mol

Synonyms:2-cyano-2-(4-methoxyphenyl)acetamide;5446-57-1;NSC17326;DTXSID70280519;NSC 17326;NSC-17326

Chemical Property of 2-Cyano-2-(4-methoxyphenyl)acetamide

Chemical Property:

• Vapor Pressure: 2.28E-06mmHg at 25°C
• Boiling Point: 392.5°Cat760mmHg
• Flash Point: 191.2°C
• PSA: 76.11000
• Density: 1.206g/cm³
• LogP: 1.48798
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 190.074227566
• Heavy Atom Count: 14
• Complexity: 248

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C#N)C(=O)N

Technology Process of 2-Cyano-2-(4-methoxyphenyl)acetamide

There total 3 articles about 2-Cyano-2-(4-methoxyphenyl)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: 67.0%

methyl 2-cyano-2-(4-methoxyphenyl) acetate (30698-32-9) → 2-cyano-2-(4-methoxyphenyl) acetamide (5446-57-1)

Guidance literature:

With ammonia; In methanol; at 20 ℃; for 10h;

DOI:10.1021/acs.orglett.9b00569

Reference yield:

p-methoxybenzylnitrile (104-47-2) → 2-cyano-2-(4-methoxyphenyl) acetamide (5446-57-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium; diethyl ether

2: aqueous ammonia

With ammonium hydroxide; diethyl ether; sodium;

DOI:10.1021/ja01289a032

Reference yield:

ethyl 2-cyano-2-(4-methoxyphenyl)acetate (147795-54-8,15032-40-3) → 2-cyano-2-(4-methoxyphenyl) acetamide (5446-57-1)

Guidance literature:

With ammonium hydroxide;

DOI:10.1021/ja01289a032

upstream raw materials:

ethyl 2-cyano-2-(4-methoxyphenyl)acetate

p-methoxybenzylnitrile

methyl 2-cyano-2-(4-methoxyphenyl) acetate

Downstream raw materials:

C₂₀H₂₁N₃O₂

C₂₀H₂₀N₂O₂S

C₂₄H₂₆N₂O₄

C₂₃H₂₄N₂O₄

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