2-Propen-1-one, 3-amino-1,3-diphenyl-, (2Z)-

Base Information

• Chemical Name: 2-Propen-1-one, 3-amino-1,3-diphenyl-, (2Z)-
• CAS No.: 98815-39-5
• Molecular Formula: C15H13NO
• Molecular Weight: 223.274
• DSSTox Substance ID: DTXSID20304759
• Mol file: 98815-39-5.mol

Synonyms:3-amino-1,3-diphenylprop-2-en-1-one;2-Propen-1-one, 3-amino-1,3-diphenyl-, (2Z)-;98815-39-5;SCHEMBL3140459;DTXSID20304759;3-AMINO-1,3-DIPHENYL-PROPENONE

Chemical Property of 2-Propen-1-one, 3-amino-1,3-diphenyl-, (2Z)-

Chemical Property:

• PSA: 43.09000
• LogP: 3.56940
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 223.099714038
• Heavy Atom Count: 17
• Complexity: 283

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)N

Technology Process of 2-Propen-1-one, 3-amino-1,3-diphenyl-, (2Z)-

There total 51 articles about 2-Propen-1-one, 3-amino-1,3-diphenyl-, (2Z)- 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: 97.0%

3,5-diphehylisoxazole (2039-49-8) → (Z)-3-amino-1,3-diphenylprop-2-en-1-one (98815-39-5)

Guidance literature:

With (R,R)-N,N'-dimethyl-1,2-diaminocyclohexane; copper diacetate; In 1,4-dioxane; at 140 ℃; for 36h; regioselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.0c02980

Reference yield: 96.0%

1,3-diphenylpropanedione (120-46-7,61346-73-4) → 3-amino-1,3-diphenyl-2-propene-1-onate (80012-16-4,98815-39-5,14088-42-7)

Guidance literature:

With ammonium formate; In ethanol; for 24h; Inert atmosphere; Reflux;

DOI:10.3762/bjoc.16.117

Reference yield: 94.0%

1,3-diphenyl-propen-3-one (614-47-1) → (Z)-3-amino-1,3-diphenylprop-2-en-1-one (98815-39-5)

Guidance literature:

1,3-diphenyl-propen-3-one; With sulfur; In dimethyl sulfoxide; at 20 ℃; Sealed tube;

With ammonium carbonate; In dimethyl sulfoxide; at 60 ℃; for 12h; Sealed tube;

DOI:10.1021/acs.orglett.0c03846

upstream raw materials:

1,3-diphenylpropanedione

3,5-diphenyl-4,5-dihydro-isoxazole

3,5-diphehylisoxazole

1,4-diphenyl-but-2-ene-1,4-dione

Downstream raw materials:

N-((Z)-3-oxo-1,3-diphenylprop-1-en-1-yl)benzamide

3,5-Diphenylpyrazole

1-methyl-3,5-diphenyl-1H-pyrazole

1,3,5-triphenyl-1H-pyrazole

Refernces

• 1、 Yu, Xiao-Xiao,Zhao, Peng,Zhou, You,Huang, Chun,Wang, Li-Sheng,Wu, Yan-Dong,Wu, An-Xin. "Iodine-Promoted Formal [3+2] Cycloaddition of Enaminone: Access to 2-Hydroxy-1,2-dihydro-pyrrol-3-ones with Quaternary Carbon Center". . p. 12141 - 12147. Retrieved 2021/09/07.
• 2、 Karuo, Yukiko,Kawai, Kentaro,Kawasaki, Akira,Omote, Masaaki,Sato, Kazuyuki,Tarui, Atsushi. "Synthesis of new fluorescent molecules having an aggregation-induced emission property derived from 4-fluoroisoxazoles". supporting information. p. 1411 - 1417. Retrieved 2020/07/08.