Methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate

Base Information

• Chemical Name: Methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate
• CAS No.: 30302-64-8
• Molecular Formula: C14H12O2S
• Molecular Weight: 244.31
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40377384
• Mol file: 30302-64-8.mol

Synonyms:methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate;DTXSID40377384;FT-0680580

Chemical Property of Methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate

Chemical Property:

• Vapor Pressure: 1.51E-05mmHg at 25°C
• Melting Point: 81-83°C
• Boiling Point: 365.9°C at 760 mmHg
• Flash Point: 175.1°C
• PSA: 54.54000
• Density: 1.209g/cm³
• LogP: 3.46170
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 244.05580079
• Heavy Atom Count: 17
• Complexity: 293

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-Phenyl-3-(thiophen-2-yl)acrylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=CC1=CC=CS1)C2=CC=CC=C2

Technology Process of Methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate

There total 1 articles about Methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate 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:

→ methyl E-3-(2-thienyl)-2-phenylacrylate (30302-64-8)

Guidance literature:

aus cis-α-Phenyl-β-<2>thienyl-acrylsaeure und methanol. HCl;

Reference yield: 87.0%

methyl E-3-(2-thienyl)-2-phenylacrylate (30302-64-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → methyl E-3-(5-formyl-2-thienyl)-2-phenylacrylate (140933-89-7)

Guidance literature:

With trichlorophosphate; at 20 - 90 ℃; for 4h;

DOI:10.1016/j.ejmech.2006.03.012

Reference yield:

methyl E-3-(2-thienyl)-2-phenylacrylate (30302-64-8) → (E)-3-(5-Cyano-thiophen-2-yl)-2-phenyl-acrylic acid methyl ester (911301-07-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 87 percent / POCl₃ / 4 h / 20 - 90 °C

2.1: hydroxylamine hydrochloride; pyridine / 0.5 h / 60 °C

2.2: 50.6 percent / acetic anhydride / 2 h / Heating

With pyridine; hydroxylamine hydrochloride; trichlorophosphate; 1.1: Vilsmeier formylation;

DOI:10.1016/j.ejmech.2006.03.012

Downstream raw materials:

methyl E-3-(5-formyl-2-thienyl)-2-phenylacrylate

(E)-3-(5-Cyano-thiophen-2-yl)-2-phenyl-acrylic acid methyl ester

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