Methyl 4-fluorothiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 4-fluorothiophene-2-carboxylate
• CAS No.: 32431-75-7
• Molecular Formula: C6H5FO2S
• Molecular Weight: 160.16600
• Hs Code.: 2934999090
• European Community (EC) Number: 965-870-4
• Nikkaji Number: J1.633.654H
• Mol file: 32431-75-7.mol

Synonyms:Methyl 4-fluorothiophene-2-carboxylate;32431-75-7;C6H5FO2S;MFCD11618006;Methyl 4-fluoro-2-thiophenecarboxylate;SCHEMBL17201640;XQDIKAOOGCLKQR-UHFFFAOYSA-N;Methyl 4-fluorothiophen-2-carboxylate;Methyl4-fluorothiophene-2-carboxylate;AKOS006318700;BS-16993;SY273933;CS-0084812;F21319;A902019

Chemical Property of Methyl 4-fluorothiophene-2-carboxylate

Chemical Property:

• Boiling Point: 213.1±25.0 °C(Predicted)
• PSA: 54.54000
• Density: 1.323±0.06 g/cm3(Predicted)
• LogP: 1.67380
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 159.99942873
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-fluorothiophene-2-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=CS1)F

Technology Process of Methyl 4-fluorothiophene-2-carboxylate

There total 7 articles about Methyl 4-fluorothiophene-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: 59.0%

5-(methoxycarbonyl)thiophene-3-diazonium hexafluorophosphate → methyl 4-fluorothiophene-2-carboxylate (32431-75-7)

Guidance literature:

With silica gel; at -78 - 250 ℃; Inert atmosphere;

Reference yield:

methyl 4-aminothiophene-2-carboxylate (89499-43-4) → methyl 4-fluorothiophene-2-carboxylate (32431-75-7)

Guidance literature:

methyl 4-aminothiophene-2-carboxylate; With hydrogenchloride; hexafluorophosphoric acid; sodium nitrite;

at 180 - 200 ℃;

DOI:10.1016/S0040-4039(01)01951-7

Reference yield:

5-bromothiophene-2-carboxylic acid (7311-63-9) → methyl 4-fluorothiophene-2-carboxylate (32431-75-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 95 percent / H₂SO₄

2.1: 60 percent / HNO₃; H₂SO₄

3.1: 94 percent / Zn; HCl / ethanol

4.1: NaNO₂; HCl; HPF₆

4.2: 180 - 200 °C

With hydrogenchloride; hexafluorophosphoric acid; sulfuric acid; nitric acid; zinc; sodium nitrite; In ethanol; 4.1: Balz-Schiemann reaction;

DOI:10.1016/S0040-4039(01)01951-7

upstream raw materials:

methyl 4-aminothiophene-2-carboxylate

5-bromothiophene-2-carboxylic acid

5-bromo-2-thiophenecarboxylic acid methyl ester

methyl 5-bromo-4-nitrothiophene-2-carboxylate

Downstream raw materials:

5-(4-dodecyloxy-phenyl)-4-fluoro-thiophene-2-carboxylic acid methyl ester

(4-fluorothiophen-2-yl)methanol

methyl 5-bromo-4-fluorothiophene-2-carboxylate