Methyl 5-bromo-4-fluorothiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 5-bromo-4-fluorothiophene-2-carboxylate
• CAS No.: 395664-59-2
• Molecular Formula: C6H4BrFO2S
• Molecular Weight: 239.06
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20573781
• Nikkaji Number: J1.633.655F
• Wikidata: Q72488512
• Mol file: 395664-59-2.mol

Synonyms:Methyl 5-bromo-4-fluorothiophene-2-carboxylate;395664-59-2;2-Thiophenecarboxylic acid, 5-bromo-4-fluoro-, methyl ester;Methyl 5-bromo-4-fluoro-2-thiophenecarboxylate;SCHEMBL17201680;DTXSID20573781;AMY41236;MFCD10566746;AKOS015897299;SB67114;AC-22564;AS-50323;CS-0084793;Methyl5-bromo-4-fluorothiophene-2-carboxylate;O11952;A824627;Methyl 5-bromo-4-fluorothiophene-2-carboxylate, 95%;5-bromo-4-fluoro-2-thiophenecarboxylic acid methyl ester;2-thiophenecarboxylic acid,5-bromo-4-fluoro-,methyl ester

Chemical Property of Methyl 5-bromo-4-fluorothiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.0125mmHg at 25°C
• Refractive Index: 1.555
• Boiling Point: 260 °C at 760 mmHg
• Flash Point: 111.1 °C
• PSA: 54.54000
• Density: 1.742 g/cm³
• LogP: 2.43630
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 237.90994
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

Methyl 5-bromo-4-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(=C(S1)Br)F

Technology Process of Methyl 5-bromo-4-fluorothiophene-2-carboxylate

There total 7 articles about Methyl 5-bromo-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: 100.0%

methyl 4-fluorothiophene-2-carboxylate (32431-75-7) → methyl 5-bromo-4-fluorothiophene-2-carboxylate (395664-59-2)

Guidance literature:

With bromine; In chloroform; for 2.5h; Heating;

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

Reference yield:

5-bromothiophene-2-carboxylic acid (7311-63-9) → methyl 5-bromo-4-fluorothiophene-2-carboxylate (395664-59-2)

Guidance literature:

Multi-step reaction with 5 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

5.1: 100 percent / Br₂ / CHCl₃ / 2.5 h / Heating

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

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

Reference yield:

5-bromo-2-thiophenecarboxylic acid methyl ester (62224-19-5) → methyl 5-bromo-4-fluorothiophene-2-carboxylate (395664-59-2)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 60 percent / HNO₃; H₂SO₄

2.1: 94 percent / Zn; HCl / ethanol

3.1: NaNO₂; HCl; HPF₆

3.2: 180 - 200 °C

4.1: 100 percent / Br₂ / CHCl₃ / 2.5 h / Heating

With hydrogenchloride; hexafluorophosphoric acid; sulfuric acid; bromine; nitric acid; zinc; sodium nitrite; In ethanol; chloroform; 3.1: Balz-Schiemann reaction;

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

upstream raw materials:

methyl 4-fluorothiophene-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

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