Ethyl 5-(4-formylphenyl)-2-thiophenecarboxylate

Base Information

• Chemical Name: Ethyl 5-(4-formylphenyl)-2-thiophenecarboxylate
• CAS No.: 850074-81-6
• Molecular Formula: C14H12O3S
• Molecular Weight: 260.30800
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30376967
• Wikidata: Q82165942
• Mol file: 850074-81-6.mol

Synonyms:850074-81-6;ethyl 5-(4-formylphenyl)-2-thiophenecarboxylate;Ethyl 5-(4-formylphenyl)thiophene-2-carboxylate;SCHEMBL1436688;DTXSID30376967;2-Thiophenecarboxylic acid, 5-(4-formylphenyl)-, ethyl ester;MFCD06659536;AKOS005069646;Ethyl5-(4-formylphenyl)thiophene-2-carboxylate;12X-0704;J-521065

Chemical Property of Ethyl 5-(4-formylphenyl)-2-thiophenecarboxylate

Chemical Property:

• Melting Point: 89-91°
• PSA: 71.61000
• LogP: 3.40430
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 260.05071541
• Heavy Atom Count: 18
• Complexity: 297

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 5-(4-formylphenyl)-2-thiophenecarboxylate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(S1)C2=CC=C(C=C2)C=O

Technology Process of Ethyl 5-(4-formylphenyl)-2-thiophenecarboxylate

There total 2 articles about Ethyl 5-(4-formylphenyl)-2-thiophenecarboxylate 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: 92.0%

ethyl 5-bromothiophene-2-carboxylate (5751-83-7) + 4-bromo-benzaldehyde (1122-91-4) → ethyl 5-(4-formylphenyl)thiophene-2-carboxylate (850074-81-6)

Guidance literature:

ethyl 5-bromothiophene-2-carboxylate; With chloro-trimethyl-silane; aluminium; lithium chloride; lead(II) chloride; In tetrahydrofuran; at 25 - 50 ℃; Inert atmosphere;

With zinc diacetate; In tetrahydrofuran; at 25 ℃; for 0.333333h; Inert atmosphere;

4-bromo-benzaldehyde; With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl) palladium(II) dichloride; In tetrahydrofuran; at 25 - 30 ℃; chemoselective reaction; Inert atmosphere;

DOI:10.1038/nchem.590

Reference yield:

→ ethyl 5-(4-formylphenyl)thiophene-2-carboxylate (850074-81-6)

Guidance literature:

upstream raw materials:

ethyl 5-bromothiophene-2-carboxylate

4-bromo-benzaldehyde