4-Formyl-2-methoxyphenyl thiophene-2-carboxylate

Base Information

• Chemical Name: 4-Formyl-2-methoxyphenyl thiophene-2-carboxylate
• CAS No.: 361472-61-9
• Molecular Formula: C13H10O4S
• Molecular Weight: 262.286
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00354590
• Wikidata: Q82132822
• Mol file: 361472-61-9.mol

Synonyms:4-formyl-2-methoxyphenyl thiophene-2-carboxylate;361472-61-9;(4-formyl-2-methoxyphenyl) thiophene-2-carboxylate;4-Formyl-2-methoxyphenyl-2-thiophene carboxylate;2-Thiophenecarboxylic acid, 4-formyl-2-methoxyphenyl ester;Thiophene-2-carboxylic acid 4-formyl-2-methoxy-phenyl ester;SCHEMBL13079903;DTXSID00354590;ZOLFWKYWRIZFDP-UHFFFAOYSA-N;BBL015518;MFCD01590273;STK033468;AKOS000115322;NCGC00321741-01;AM803778;AS-67817;BB 0237277;CS-0038019;EN300-01052;4-formyl-2-methoxyphenylthiophene-2-carboxylate;AB00281049-03;Z56822243

Chemical Property of 4-Formyl-2-methoxyphenyl thiophene-2-carboxylate

Chemical Property:

• PSA: 80.84000
• LogP: 2.78840
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 262.02997997
• Heavy Atom Count: 18
• Complexity: 307

Purity/Quality:

98%min ^*data from raw suppliers

4-Formyl-2-methoxyphenylThiophene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=O)OC(=O)C2=CC=CS2

Technology Process of 4-Formyl-2-methoxyphenyl thiophene-2-carboxylate

There total 1 articles about 4-Formyl-2-methoxyphenyl thiophene-2-carboxylate 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: 81.0%

2-Thiophenecarbonyl chloride (5271-67-0) + vanillin (121-33-5,8014-42-4) → 4-formyl-2-methoxyphenyl thiophene-2-carboxylate (361472-61-9)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 3.5h; Reflux;

DOI:10.1016/j.molstruc.2020.129666

Reference yield: 93.0%

4-formyl-2-methoxyphenyl thiophene-2-carboxylate (361472-61-9) + thiosemicarbazide (79-19-6) → 4-((2-carbamothioylhydrazineylidene)methyl)-2-methoxyphenyl thiophene-2-carboxylate

Guidance literature:

With acetic acid; for 2h; Reflux;

DOI:10.1016/j.molstruc.2020.129666

Reference yield: 60.0%

4-formyl-2-methoxyphenyl thiophene-2-carboxylate (361472-61-9) + boc-4-aminohippuric acid (854621-90-2) → C27H24N2O7S

Guidance literature:

With sodium acetate; acetic anhydride; at 20 - 170 ℃; for 1h;

upstream raw materials:

2-Thiophenecarbonyl chloride

vanillin

Downstream raw materials:

C₂₂H₁₅NO₅S