methyl (E)-5-(2-thienyl)pent-2-en-4-ynoate

Base Information

• Chemical Name: methyl (E)-5-(2-thienyl)pent-2-en-4-ynoate
• CAS No.: 90920-85-7
• Molecular Formula: C₁₀H₈O₂S
• Molecular Weight: 192.238
• Nikkaji Number: J2.372.215A
• Mol file: 90920-85-7.mol

Synonyms:2-Penten-4-ylnoic acid, 5-(2-thienyl)-, methyl ester;90920-85-7;methyl (E)-5-(2-thienyl)pent-2-en-4-ynoate;5-(2-Thienyl)-2-pentene-4-yneoic acid methyl ester;2-Penten-4-ynoic acid, 5-(2-thienyl)-, methyl ester, (2E)-

Chemical Property of methyl (E)-5-(2-thienyl)pent-2-en-4-ynoate

Chemical Property:

• Vapor Pressure: 0.00273mmHg at 25°C
• Boiling Point: 285.9°C at 760 mmHg
• Flash Point: 126.7°C
• Density: 1.21g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 192.02450067
• Heavy Atom Count: 13
• Complexity: 269

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C=CC#CC1=CC=CS1
• Isomeric SMILES: COC(=O)/C=C/C#CC1=CC=CS1

Technology Process of methyl (E)-5-(2-thienyl)pent-2-en-4-ynoate

There total 3 articles about methyl (E)-5-(2-thienyl)pent-2-en-4-ynoate 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: 85.6%

2-ethynyl-thiophene (4298-52-6) + (E)-methyl 3-iodoacrylate (6213-88-3) → methyl (E)-5-(thiophen-2-yl)pent-2-en-4-ynoate (2271-21-8,90920-85-7)

Guidance literature:

With copper(l) iodide; triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In benzene; for 6h; Ambient temperature;

Reference yield:

→ cis-5-Thienyl-(2)-penten-(2)-in-(4)-saeure-(1)-methylester (29428-81-7,90920-85-7)

Guidance literature:

aus Thienyl-(2)-propinal u. dem Phosphoniumsalz aus Bromessigsaeuremethylester neben der trans-Verb.;

Reference yield:

→ methyl (E)-5-(thiophen-2-yl)pent-2-en-4-ynoate (2271-21-8,90920-85-7)

Guidance literature:

wie bei der cis-Verb.;

upstream raw materials:

2-ethynyl-thiophene

(E)-methyl 3-iodoacrylate