5-(4-methoxyphenyl)thiophene-2-carboxylic Acid

Base Information

• Chemical Name: 5-(4-methoxyphenyl)thiophene-2-carboxylic Acid
• CAS No.: 116016-56-9
• Molecular Formula: C12H10 O3 S
• Molecular Weight: 234.276
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00377320
• Wikidata: Q82166496
• Mol file: 116016-56-9.mol

Synonyms:116016-56-9;5-(4-methoxyphenyl)thiophene-2-carboxylic Acid;5-(4-methoxyphenyl)-2-thiophenecarboxylic acid;SCHEMBL2544746;DTXSID00377320;XLTXZWKQUHETLK-UHFFFAOYSA-N;BBL021904;GEO-03610;MFCD00221059;STK894621;5-(4-methoxyphenyl)-2-thienoic acid;AKOS000313674;6H-465S;BB 0222895;CS-0315266;FT-0680501;EN300-97425;J-516264

Chemical Property of 5-(4-methoxyphenyl)thiophene-2-carboxylic Acid

Chemical Property:

• Vapor Pressure: 5.36E-08mmHg at 25°C
• Melting Point: 202-204°C
• Refractive Index: 1.612
• Boiling Point: 425.5°Cat760mmHg
• PKA: 3.62±0.10(Predicted)
• Flash Point: 211.1°C
• PSA: 74.77000
• Density: 1.296g/cm³
• LogP: 3.12190
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 234.03506535
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

98%min ^*data from raw suppliers

5-(4-Methoxyphenyl)-2-thiophenecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CC=C(S2)C(=O)O

Technology Process of 5-(4-methoxyphenyl)thiophene-2-carboxylic Acid

There total 7 articles about 5-(4-methoxyphenyl)thiophene-2-carboxylic 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: 100.0%

5-(4-methoxyphenyl)thiophene-2-carboxylic acid methyl ester (69202-21-7) → 5-(4-methoxyphenyl)thiophene-2-carboxylic acid (116016-56-9)

Guidance literature:

With methanol; sodium hydroxide; for 3h; Reflux;

Reference yield: 70.0%

2,2,-dithiobis<5-(p-methoxyphenyl)-2,4-pentanedioic acid> (116016-55-8) → 5-(4-methoxyphenyl)thiophene-2-carboxylic acid (116016-56-9)

Guidance literature:

With iodine; In 1,4-dioxane; ethanol; at 70 ℃; for 7h;

Reference yield:

5-bromothiophene-2-carboxylic acid (7311-63-9) + 4-methoxyphenylboronic acid (5720-07-0) → 5-(4-methoxyphenyl)thiophene-2-carboxylic acid (116016-56-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,4-dioxane; water; at 110 ℃; for 5h; Inert atmosphere;

DOI:10.1016/j.ejmech.2021.113955

upstream raw materials:

2,2,-dithiobis<5-(p-methoxyphenyl)-2,4-pentanedioic acid>

2-mercapto-5-(p-methoxyphenyl)-2,4-pentadienoic acid

5-(p-methoxycinnamylidene)rhodanine

5-bromothiophene-2-carboxylic acid

Downstream raw materials:

5-p-hydroxyphenyl-2-thenoic acid

Refernces

• 1、 -. "Hedgehog signal pathway inhibitor". . . Retrieved 2017/06/20.