Methyl 2-Methylthiophene-3-carboxylate

Base Information

• Chemical Name: Methyl 2-Methylthiophene-3-carboxylate
• CAS No.: 53562-51-9
• Molecular Formula: C7H8O2S
• Molecular Weight: 156.204
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50520945
• Nikkaji Number: J405.426A
• Wikidata: Q72493133
• Mol file: 53562-51-9.mol

Synonyms:Methyl 2-Methylthiophene-3-carboxylate;53562-51-9;methyl 2-methyl-3-thiophenecarboxylate;MFCD12026360;2-Methyl-3-thiophenecarboxylic acid methyl ester;Methyl2-methylthiophene-3-carboxylate;3-Thiophenecarboxylic acid, 2-methyl-, methyl ester;2-Methyl-3-thiophenecarboxylicacidmethylester;2-Methylthiophene-3-carboxylic acid methyl ester;SCHEMBL171052;DTXSID50520945;CCNDEWOBDKZGAD-UHFFFAOYSA-N;AKOS006318460;CS-W022811;FS-2641;Methyl (2-methyl)3-thiophenecarboxylate;Methyl 2-methyl-thiophene-3-carboxylate;AC-23893;SY047611;A7791;AM20100318

Chemical Property of Methyl 2-Methylthiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.293mmHg at 25°C
• Refractive Index: 1.532
• Boiling Point: 202.412 °C at 760 mmHg
• Flash Point: 76.216 °C
• PSA: 54.54000
• Density: 1.174 g/cm³
• LogP: 1.84310
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 156.02450067
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

98% ^*data from raw suppliers

Methyl2-Methylthiophene-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CS1)C(=O)OC

Technology Process of Methyl 2-Methylthiophene-3-carboxylate

There total 6 articles about Methyl 2-Methylthiophene-3-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: 96.0%

methanol (67-56-1) + 2-methylthiophene-3-carboxylic acid (1918-78-1) → 2-methylthiophene-3-carboxylic acid methyl ester (53562-51-9)

Guidance literature:

With thionyl chloride; for 3h; Reflux;

DOI:10.1016/j.ejmech.2018.06.060

Reference yield: 85.0%

2-methylthiophene-3-carboxylic acid (1918-78-1) + methyl iodide (74-88-4) → 2-methylthiophene-3-carboxylic acid methyl ester (53562-51-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1002/jhet.5570200447

Reference yield: 51.0%

1,4-dithiane-2,5-diol (40018-26-6) + 3-oxopentanedioic acid dimethyl ester (1830-54-2) → methyl 2-(2-methoxy-2-oxoethyl)-3-thienoate (865187-80-0) + 2-methylthiophene-3-carboxylic acid methyl ester (53562-51-9)

Guidance literature:

With lithium bromide; In 1,4-dioxane; for 20h; Reflux;

DOI:10.1016/j.tet.2011.09.050

upstream raw materials:

2-methylthiophene-3-carboxylic acid

methyl iodide

methanol

3-Thiophene carboxylic acid

Downstream raw materials:

C₁₃H₁₂O₄S₂

C₁₃H₁₁NO₃S

methyl 5-bromo-2-methylthiophene-3-carboxylate

C₁₅H₁₄O₃S

Refernces

• 1、 -. "Aromatic heterocyclic lactam compound as well as preparation method and application thereof". Paragraph 0166-0168. . Retrieved 2021/03/11.
• 2、 Cao, Xufeng,Xu, Yuanyuan,Cao, Yongbing,Wang, Ruilian,Zhou, Ran,Chu, Wenjing,Yang, Yushe. "Design, synthesis, and structure-activity relationship studies of novel thienopyrrolidone derivatives with strong antifungal activity against Aspergillus fumigates". supporting information. p. 471 - 476. Retrieved 2015/09/01.