3-(4-Methoxyphenyl)-1-methyl-3-oxo-1-propenamine

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-1-methyl-3-oxo-1-propenamine
• CAS No.: 102252-89-1
• Molecular Formula: C₁₁H₁₃NO₂
• Molecular Weight: 191.23
• DSSTox Substance ID: DTXSID601270529
• Mol file: 102252-89-1.mol

Synonyms:DTXSID601270529;102252-89-1;3-Amino-1-(4-methoxyphenyl)-2-buten-1-one;3-Amino-1-(4-methoxy-phenyl)-but-2-en-1-one;3-(4-methoxyphenyl)-1-methyl-3-oxo-1-propenamine

Chemical Property of 3-(4-Methoxyphenyl)-1-methyl-3-oxo-1-propenamine

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(4-Methoxyphenyl)-1-methyl-3-oxo-1-propenamine

There total 5 articles about 3-(4-Methoxyphenyl)-1-methyl-3-oxo-1-propenamine 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: 98.0%

1-(4-methoxyphenyl)butan-1,3-dione (4023-80-7) → 3-amino-1-(4-methoxyphenyl)but-2-en-1-one (102252-89-1)

Guidance literature:

With potassium hydrogensulfate; ammonium acetate; silica gel; at 20 ℃; for 0.333333h;

DOI:10.1055/s-0028-1087914

Reference yield: 95.0%

1-(4-methoxyphenyl)butan-1,3-dione (4023-80-7) → (Z)-3-amino-1-(4-methoxyphenyl)but-2-en-1-one (102252-89-1)

Guidance literature:

With montmorillonite K-10; ammonia; water; for 5h;

DOI:10.1055/s-1998-2107

Reference yield: 40.0%

2,2-difluoro-6-methyl-4-(p-methoxyphenyl)-1,3,2-dioxaborine → 3-amino-1-(4-methoxyphenyl)but-2-en-1-one (102252-89-1)

Guidance literature:

With ammonium hydroxide; In acetonitrile; at 60 ℃; for 12h;

DOI:10.1002/cplu.201800069

upstream raw materials:

1-(4-methoxyphenyl)butan-1,3-dione

ammonium acetate

Downstream raw materials:

3-(4-methoxyphenyl)-5-methyl-1H-pyrazole

3-(4-methoxy-phenyl)-5-methylisoxazole

5-(4-methoxyphenyl)-3-methylisoxazole

5-(4-methoxy-phenyl)-3-methyl-1-phenyl-1H-pyrazole