2-(5-(Methoxycarbonyl)thiophen-2-yl)acetic acid

Base Information

• Chemical Name: 2-(5-(Methoxycarbonyl)thiophen-2-yl)acetic acid
• CAS No.: 142667-06-9
• Molecular Formula: C8H8O4S
• Molecular Weight: 200.215
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30596906
• Wikidata: Q72489563
• Mol file: 142667-06-9.mol

Synonyms:2-(5-(methoxycarbonyl)thiophen-2-yl)acetic acid;142667-06-9;2-(5-methoxycarbonylthiophen-2-yl)acetic acid;2-[5-(Methoxycarbonyl)thiophen-2-yl]acetic acid;[5-(Methoxycarbonyl)thiophen-2-yl]acetic acid;2-(5-(Methoxycarbonyl)thiophen-2-yl)aceticacid;SCHEMBL2332754;DTXSID30596906;BCP27136;MFCD13195081;AKOS016003758;AS-67430;DB-354877;CS-0061848;W17530;A885152;J-506103;Ethanethione, 2-(2-methylphenyl)-1-(4-morpholinyl)-;5-CarboxyMethylthiophene-2-carboxylic acid Methyl ester

Chemical Property of 2-(5-(Methoxycarbonyl)thiophen-2-yl)acetic acid

Chemical Property:

• Boiling Point: 368℃
• Flash Point: 176℃
• PSA: 91.84000
• Density: 1.387
• LogP: 1.16180
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 200.01432991
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

2-(5-(methoxycarbonyl)thiophen-2-yl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(5-(Methoxycarbonyl)thiophen-2-yl)acetic acid

There total 8 articles about 2-(5-(Methoxycarbonyl)thiophen-2-yl)acetic 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: 85.0%

methyl 5-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate (153802-85-8) → 5-carboxymethylthiophene-2-carboxylic acid methyl ester (142667-06-9)

Guidance literature:

With potassium carbonate; In methanol; water; at 20 ℃; for 4h;

Reference yield: 58.0%

methanol (67-56-1) + 2-(5-bromo-2-thienyl)acetic acid (71637-38-2) + carbon monoxide (201230-82-2) → 5-carboxymethylthiophene-2-carboxylic acid methyl ester (142667-06-9)

Guidance literature:

With triethylamine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; at 120 ℃; for 20h;

Reference yield:

Thiophene-2-acetic acid (1918-77-0) → 5-carboxymethylthiophene-2-carboxylic acid methyl ester (142667-06-9)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / bromine / 0.06 h / 10 - 20 °C

2: triethylamine / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 20 h / 120 °C

With acetic acid; triethylamine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; bromine;

upstream raw materials:

Thiophene-2-acetic acid

methanol

2-(5-bromo-2-thienyl)acetic acid

carbon monoxide