2-Phenyl-3-(2-thienyl)propanoic acid

Base Information

• Chemical Name: 2-Phenyl-3-(2-thienyl)propanoic acid
• CAS No.: 51535-43-4
• Molecular Formula: C13H12 O2 S
• Molecular Weight: 232.303
• NSC Number: 39228
• DSSTox Substance ID: DTXSID50284833
• Mol file: 51535-43-4.mol

Synonyms:51535-43-4;2-phenyl-3-(thiophen-2-yl)propanoic acid;2-Phenyl-3-(2-thienyl)propanoic acid;NSC39228;ChemDiv2_002265;Oprea1_868236;DTXSID50284833;SRDHAZNTMXQYGM-UHFFFAOYSA-N;HMS1375G21;NSC-39228;STK674855;AKOS005593636;NCGC00332306-01;2-Phenyl-3-(2-thienyl)propanoic acid #;2-Thiophenylpropanoic acid, ,.gamma.-phenyl-;Propionic acid, 2-phenyl-3-(2-thiophenyl)-;AB01326147-02;SR-01000522290;SR-01000522290-1

Chemical Property of 2-Phenyl-3-(2-thienyl)propanoic acid

Chemical Property:

• Vapor Pressure: 2.46E-05mmHg at 25°C
• Boiling Point: 344.7°Cat760mmHg
• Flash Point: 162.3°C
• Density: 1.26g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 232.05580079
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Phenyl-3-(2-thienyl)propanoic acid

There total 6 articles about 2-Phenyl-3-(2-thienyl)propanoic acid 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: 93.0%

(Z)-2-Phenyl-3-thiophen-2-yl-acrylic acid → 2-phenyl-3-(thiophen-2-yl)propanoic acid (51535-43-4)

Guidance literature:

With C₄₂H₄₈CoP₂; hydrogen; triethylamine; zinc; In methanol; at 50 ℃; for 16h; under 25858.1 Torr; enantioselective reaction;

DOI:10.1021/jacs.9b13876

Reference yield:

phenyl-[2]thienylmethyl-malonic acid diethyl ester (51535-44-5) → 2-phenyl-3-(thiophen-2-yl)propanoic acid (51535-43-4)

Guidance literature:

With alkaline solution; Behandeln des Reaktionsprodukts mit wss. Salzsaeure;

DOI:10.1021/ja01214a019

Reference yield:

sodium diethyl-2-phenylmalonate (28744-77-6) → 2-phenyl-3-(thiophen-2-yl)propanoic acid (51535-43-4)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: aq.-ethanolic alkaline solution / Behandeln des Reaktionsprodukts mit wss. Salzsaeure

With ethanol; alkaline solution;

DOI:10.1021/ja01214a019

upstream raw materials:

phenyl-[2]thienylmethyl-malonic acid diethyl ester

sodium diethyl-2-phenylmalonate

Refernces