(E)-beta-(1-Methyl-1H-pyrrole-2-yl)acrylophenone

Base Information

• Chemical Name: (E)-beta-(1-Methyl-1H-pyrrole-2-yl)acrylophenone
• CAS No.: 22563-51-5
• Molecular Formula: C₁₄H₁₃NO
• Molecular Weight: 211.263
• DSSTox Substance ID: DTXSID001190098
• Nikkaji Number: J971.369G
• Mol file: 22563-51-5.mol

Synonyms:(E)-beta-(1-Methyl-1H-pyrrole-2-yl)acrylophenone;3-(1-methyl-1H-pyrrol-2-yl)-1-phenylprop-2-en-1-one;22563-51-5;(E)-3-(1-methylpyrrol-2-yl)-1-phenylprop-2-en-1-one;SCHEMBL13660520;DTXSID001190098;AE-848/34420001;(E)-3-(1-Methyl-1H-pyrrol-2-yl)-1-phenylprop-2-en-1-one;2-Propen-1-one, 3-(1-methyl-1H-pyrrol-2-yl)-1-phenyl-, (E)-

Chemical Property of (E)-beta-(1-Methyl-1H-pyrrole-2-yl)acrylophenone

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 211.099714038
• Heavy Atom Count: 16
• Complexity: 266

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C=CC=C1C=CC(=O)C2=CC=CC=C2
• Isomeric SMILES: CN1C=CC=C1/C=C/C(=O)C2=CC=CC=C2

Technology Process of (E)-beta-(1-Methyl-1H-pyrrole-2-yl)acrylophenone

There total 1 articles about (E)-beta-(1-Methyl-1H-pyrrole-2-yl)acrylophenone 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: 86.0%

N-methylpyrrole aldehyde (1192-58-1) + acetophenone (98-86-2) → (2E)-3-(1-methyl-1H-pyrrol-2-yl)-1-phenylprop-2-en-1-one (22563-51-5)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; Cooling with ice;

DOI:10.1055/a-1535-6085

Reference yield: 83.0%

(2E)-3-(1-methyl-1H-pyrrol-2-yl)-1-phenylprop-2-en-1-one (22563-51-5) → 3-(1-methyl-1H-pyrrol-2-yl)-1-phenylpropan-1-one

Guidance literature:

With selenium; potassium acetate; In N,N-dimethyl-formamide; at 150 ℃; for 36h; Inert atmosphere;

Reference yield: 70.0%

diguanidine carbonate (593-85-1,90332-86-8,3425-08-9) + (2E)-3-(1-methyl-1H-pyrrol-2-yl)-1-phenylprop-2-en-1-one (22563-51-5) → 4-(1-methyl-1H-pyrrol-2-yl)-6-phenylpyrimidin-2-amine (82619-73-6)

Guidance literature:

With sodium hydroxide; In ethanol; for 10h;

DOI:10.1002/jhet.5570190240

upstream raw materials:

N-methylpyrrole aldehyde

acetophenone

Downstream raw materials:

4-(1-methyl-1H-pyrrol-2-yl)-6-phenylpyrimidin-2-amine