2-Propen-1-one, 1-phenyl-3-(2-thienyl)-

Base Information

• Chemical Name: 2-Propen-1-one, 1-phenyl-3-(2-thienyl)-
• CAS No.: 2910-81-8
• Molecular Formula: C₁₃H₁₀OS
• Molecular Weight: 214.288
• NSC Number: 110936
• Nikkaji Number: J124.949E,J971.367K
• ChEMBL ID: CHEMBL315053
• Mol file: 2910-81-8.mol

Synonyms:1-phenyl-3-(thiophen-2-yl)prop-2-en-1-one;RK-I-123

Chemical Property of 2-Propen-1-one, 1-phenyl-3-(2-thienyl)-

Chemical Property:

• Vapor Pressure: 3.17E-05mmHg at 25°C
• Melting Point: 59 °C
• Refractive Index: 1.651
• Boiling Point: 355.2 °C at 760 mmHg
• Flash Point: 168.6 °C
• PSA: 45.31000
• Density: 1.195 g/cm³
• LogP: 3.64420
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.04523611
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

1-Phenyl-3-(thiophen-2-yl)prop-2-en-1-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=CS2
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CS2

Technology Process of 2-Propen-1-one, 1-phenyl-3-(2-thienyl)-

There total 14 articles about 2-Propen-1-one, 1-phenyl-3-(2-thienyl)- 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: 98.4%

thiophene-2-carbaldehyde (98-03-3) + benzaldehyde (100-52-7) → 3-(2'-thienyl)acrylophenone (2910-81-8,22488-77-3,39511-11-0)

Guidance literature:

benzaldehyde; With potassium hydroxide; In methanol; water; at 0 ℃; for 0.166667h;

thiophene-2-carbaldehyde; In methanol; water; at 0 ℃; for 3h;

Reference yield: 94.0%

2-thiophenemethanol (636-72-6) + acetophenone (98-86-2) → 3-(2'-thienyl)acrylophenone (2910-81-8,22488-77-3,39511-11-0)

Guidance literature:

With titanium nitride; potassium hydroxide; In toluene; at 100 ℃; for 14h; Time; Sealed tube; Irradiation;

DOI:10.1021/acscatal.9b04921

Reference yield: 92.0%

thiophene-2-carbaldehyde (98-03-3) + acetophenone (98-86-2) → 3-(2'-thienyl)acrylophenone (2910-81-8,22488-77-3,39511-11-0)

Guidance literature:

With potassium hydroxide; In ethanol; water; at 15 - 20 ℃; for 5h;

DOI:10.1055/s-0039-1690204

upstream raw materials:

thiophene-2-carbaldehyde

acetophenone N-ethoxycarbonylhydrazone

acetophenone

α-bromoacetophenone

Downstream raw materials:

4-phenyl-6-(thiophen-2-yl)pyrimidin-2-amine

3-cyano-6-phenyl-4-(thiophen-2'-yl)-2(1H)-pyridone

1,3-diphenyl-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole

2-amino-6-phenyl-4-(thiophen-2-yl)nicotinonitrile

Refernces

• 1、 Liu, Yuan,Wang, Chen,Tong, Yixin,Ling, Yong,Zhou, Changjian,Xiong, Biao. "Cascade Reaction of α, β-Unsaturated Ketones and 2-Aminoaryl Alcohols for the Synthesis of 3-Acylquinolines by a Copper Nanocatalyst". supporting information. p. 4422 - 4429. Retrieved 2021/08/07.
• 2、 Kolla, Sai Teja,Somanaboina, Ramya,Bhimapaka, China Raju. "TBHP/Cu(OAc)2 mediated oxidation of pyrazolines: A convenient method for the preparation of pyrazoles". supporting information. p. 1425 - 1432. Retrieved 2021/02/27.