3-Thiophen-3-ylprop-2-enoic acid

Base Information

• Chemical Name: 3-Thiophen-3-ylprop-2-enoic acid
• CAS No.: 1195-52-4
• Molecular Formula: C7H6O2S
• Molecular Weight: 154.189
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID301312217
• Mol file: 1195-52-4.mol

Synonyms:DTXSID301312217;FT-0613628;FT-0613629

Chemical Property of 3-Thiophen-3-ylprop-2-enoic acid

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 155 °C
• Refractive Index: 1.656
• Boiling Point: 298.9 °C at 760 mmHg
• Flash Point: 134.6 °C
• PSA: 65.54000
• Density: 1.346 g/cm³
• LogP: 1.84590
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.00885060
• Heavy Atom Count: 10
• Complexity: 154

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-ThiopheneacrylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CSC=C1C=CC(=O)O
• Uses: 3-(3-Thienyl)acrylic Acid can be used as antitumor agents.

Technology Process of 3-Thiophen-3-ylprop-2-enoic acid

There total 12 articles about 3-Thiophen-3-ylprop-2-enoic 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: 96.0%

3-thiophene carboxaldehyde (498-62-4) + malonic acid (141-82-2) → 3-(3-thienyl)-2-propenoic acid (1195-52-4,102696-71-9)

Guidance literature:

In pyridine; at 100 ℃; for 2h;

Reference yield: 90.0%

(E)-3-thiophen-3-yl-acrylic acid ethyl ester (50266-60-9) → trans-3-(3-thienyl)acrylic acid (1195-52-4,102696-71-9)

Guidance literature:

With potassium hydroxide; for 4h; Heating;

DOI:10.1002/chem.200501034

Reference yield: 90.0%

→ 3-(3-thienyl)-2-propenoic acid (1195-52-4,102696-71-9)

Guidance literature:

With piperidine; In pyridine; at 100 ℃; for 13h; Reflux;

upstream raw materials:

3-thiophene carboxaldehyde

malonic acid

(trimethylsilyl)ketene bis(trimethylsilyl) acetal

3-Bromothiophene

Downstream raw materials:

(E)-benzhydryl 7β-[3-(3-thienyl)acryloylamino]-3-(1,3,4-thiadiasol-2-yl)thio-3-cephem-4-carboxylate

6H-Thieno[2,3-c]pyridin-7-one

3-(3-thienyl)-propyl alcohol

3-(3-thienyl)acryloyl chloride

Refernces

• 1、 Ma, Jinjin,Chen, Lan,Fan, Jinbao,Cao, Wei,Zeng, Guangyao,Wang, Yajing,Li, Yuanjian,Zhou, Yingjun,Deng, Xu. "Dual-targeting Rutaecarpine-NO donor hybrids as novel anti-hypertensive agents by promoting release of CGRP". supporting information. p. 146 - 153. Retrieved 2019/02/27.
• 2、 Pankova, Alena S.,Stukalov, Alexander Yu.,Kuznetsov, Mikhail A.. "Synthesis of 2-(hetero)aryl-5-(trimethylsilylethynyl)oxazoles from (hetero)arylacrylic acids". supporting information. p. 1826 - 1829. Retrieved 2015/04/27.