2-Thiopheneacrylic acid, ethyl ester

Base Information

• Chemical Name: 2-Thiopheneacrylic acid, ethyl ester
• CAS No.: 31330-51-5
• Molecular Formula: C10H9 N O2 S
• Molecular Weight: 207.253
• Hs Code.: 2934999090
• NSC Number: 52714
• Mol file: 31330-51-5.mol

Synonyms:SCHEMBL11151557;NSC52714;2-Thiopheneacrylic acid, ethyl ester;MFCD00039684;NSC-52714;AKOS000499597;Ethyl 2-cyano-3-(thien-2-yl)acrylate;.alpha.-Cyano-2-thiopheneacrylic acid ethyl ester

Chemical Property of 2-Thiopheneacrylic acid, ethyl ester

Chemical Property:

• Vapor Pressure: 8.38E-05mmHg at 25°C
• Melting Point: 79-82°C
• Boiling Point: 340.8°Cat760mmHg
• Flash Point: 159.9°C
• PSA: 78.33000
• Density: 1.247g/cm³
• LogP: 2.21818
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 207.03539970
• Heavy Atom Count: 14
• Complexity: 290

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-cyano-3-(2-thienyl)acrylate 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=CC1=CC=CS1)C#N
• Isomeric SMILES: CCOC(=O)/C(=C\C1=CC=CS1)/C#N

Technology Process of 2-Thiopheneacrylic acid, ethyl ester

There total 6 articles about 2-Thiopheneacrylic acid, ethyl ester 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: 98.0%

thiophene-2-carbaldehyde (98-03-3) + ethyl 2-cyanoacetate (105-56-6) → ethyl 2-cyano-3-(2-thienyl)acrylate (31330-51-5)

Guidance literature:

With ((S)-N-(2-aminoethyl)pyrrolidine-2-carboxylate) functionalized polyacrylonitrile fiber; In water; at 30 ℃; for 4h; Green chemistry;

DOI:10.1016/j.jcat.2019.04.040

Reference yield: 98.0%

thiophene-2-carbaldehyde (98-03-3) + ethyl 2-cyanoacetate (105-56-6) → ethyl (E)-2-cyano-3-(2-thienyl)-2-propenoate (31330-51-5)

Guidance literature:

With Na₈H[PW₉O₃₄]*7H₂O; In methanol; at 25 ℃; for 6h;

DOI:10.1016/j.apcata.2014.01.017

Reference yield: 98.0%

aqueous sodium chloride + ethyl 2-cyanoacetate (105-56-6) → ethyl (E)-2-cyano-3-(2-thienyl)-2-propenoate (31330-51-5)

Guidance literature:

With sodium hydroxide; In piperidine; 1,4-dioxane;

upstream raw materials:

thiophene-2-carbaldehyde

ethyl 2-cyanoacetate

2-thiophenemethanol

2-(dimethoxymethyl)thiophene

Downstream raw materials:

4-thenylidene-1-phenyl-2-thioxoimidazolidin-5-one

ethyl 2-amino-5-cyano-6-phenyl-4-(2-thienyl)-4H-pyran-3-carboxylate

5-Methyl-2-phenyl-4-[1-thiophen-2-yl-meth-(E)-ylidene]-2,4-dihydro-pyrazol-3-one

4-thenylidene-2-thioxoimidazolidin-5-one

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