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

Base Information

• Chemical Name: 2-Propen-1-one, 2-(phenylmethyl)-1-(3-thienyl)-
• CAS No.: 108664-49-9
• Molecular Formula: C14H12OS
• Molecular Weight: 228.3095
• DSSTox Substance ID: DTXSID80148696
• Wikidata: Q83014291
• ChEMBL ID: CHEMBL36137
• Mol file: 108664-49-9.mol

Synonyms:2-Propen-1-one, 2-(phenylmethyl)-1-(3-thienyl)-;108664-49-9;CHEMBL36137;DTXSID80148696;2-benzyl-1-(3-thienyl)prop-2-en-1-one

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

Chemical Property:

• Vapor Pressure: 1.43E-05mmHg at 25°C
• Boiling Point: 366.8°C at 760 mmHg
• Flash Point: 175.6°C
• Density: 1.146g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 228.06088618
• Heavy Atom Count: 16
• Complexity: 266

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(CC1=CC=CC=C1)C(=O)C2=CSC=C2

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

There total 2 articles about 2-Propen-1-one, 2-(phenylmethyl)-1-(3-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: 57.0%

3-phenyl-1-(2-thienyl)propan-1-one (40027-94-9) + bis-(dimethylamino)methane (51-80-9) → 1-(2-thienyl)-2-benzyl-2-propen-1-one (108664-49-9)

Guidance literature:

With acetic anhydride; at 80 ℃; for 3h;

DOI:10.1021/jm00391a037

Reference yield:

dihydrocinnamonitrile (645-59-0) → 1-(2-thienyl)-2-benzyl-2-propen-1-one (108664-49-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 15 percent / diethyl ether / 0.25 h / Heating

2: 57 percent / Ac₂O / 3 h / 80 °C

With acetic anhydride; In diethyl ether;

DOI:10.1021/jm00391a037

Reference yield:

2-methyl-1H-indole (95-20-5) + 1-(2-thienyl)-2-benzyl-2-propen-1-one (108664-49-9) → C23H21NOS + C23H21NOS

Guidance literature:

With (1S,2S)-N',N'-dimethyl-1,2-diphenylethane-1,2-diamine; naphthalene-2-carboxylate; In chlorobenzene; at 60 ℃; for 48h; Overall yield = 84 %; enantioselective reaction;

DOI:10.1002/chem.201302056

upstream raw materials:

3-phenyl-1-(2-thienyl)propan-1-one

bis-(dimethylamino)methane

dihydrocinnamonitrile