METHYL 3-AMINO-5-(4-FLUOROPHENYL)THIOPHENE-2-CARBOXYLATE

Base Information

• Chemical Name: METHYL 3-AMINO-5-(4-FLUOROPHENYL)THIOPHENE-2-CARBOXYLATE
• CAS No.: 175137-08-3
• Molecular Formula: C12H10FNO2S
• Molecular Weight: 251.281
• Hs Code.: 2934999090
• Mol file: 175137-08-3.mol

Synonyms:3-Amino-5-(4-fluorophenyl)thiophene-2-carboxylicacid methyl ester;5-(4-Fluorophenyl)-3-aminothiophene-2-carboxylic acid methylester;Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate;2-Thiophenecarboxylic acid, 3-amino-5-(4-fluorophenyl)-, methyl ester;

Chemical Property of METHYL 3-AMINO-5-(4-FLUOROPHENYL)THIOPHENE-2-CARBOXYLATE

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 6.7E-08mmHg at 25°C
• Melting Point: 153-155°C
• Refractive Index: 1.608
• Boiling Point: 438.8 °C at 760 mmHg
• PKA: 1.62±0.10(Predicted)
• Flash Point: 219.2 °C
• PSA: 80.56000
• Density: 1.332 g/cm³
• LogP: 3.50420
• Storage Temp.: 2-8°C
• Sensitive.: Stench

Purity/Quality:

97% ^*data from raw suppliers

Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of METHYL 3-AMINO-5-(4-FLUOROPHENYL)THIOPHENE-2-CARBOXYLATE

There total 10 articles about METHYL 3-AMINO-5-(4-FLUOROPHENYL)THIOPHENE-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: 95.0%

3-amino-5-bromo-thiophene-2-carboxylic acid methyl ester (107818-55-3) + 4-fluoroboronic acid (1765-93-1) → 5-(4-fluorophenyl)-3-aminothiophene-2-carboxylic acid methyl ester (175137-08-3)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In 1,4-dioxane; water; at 90 ℃;

DOI:10.1002/bkcs.10840

Reference yield: 84.0%

2-bromo-2-chloro-3-(4-fluorophenyl)propanenitrile + Methyl thioglycolate (2365-48-2) → 5-(4-fluorophenyl)-3-aminothiophene-2-carboxylic acid methyl ester (175137-08-3)

Guidance literature:

With sodium methylate; In methanol; for 1h; Reflux;

DOI:10.1002/ejoc.201901512

Reference yield: 59.0%

Methyl thioglycolate (2365-48-2) + 3-chloro-3-(4-fluorophenyl)acrylonitrile (205984-77-6) → 5-(4-fluorophenyl)-3-aminothiophene-2-carboxylic acid methyl ester (175137-08-3)

Guidance literature:

With sodium methylate; In methanol; for 3h; Reflux;

DOI:10.1016/j.tetlet.2019.151185

upstream raw materials:

1-(4-fluorophenyl)ethanone

Methyl thioglycolate

N,N-dimethyl-formamide

3-amino-5-bromo-thiophene-2-carboxylic acid methyl ester

Downstream raw materials:

3-(3-Chloro-2,2-dimethyl-propionylamino)-5-(4-fluoro-phenyl)-thiophene-2-carboxylic acid methyl ester

3-amino-5-(4-fluorophenyl)thiophene-2-carboxylic acid

5-(4-fluoro-phenyl)-3-isopropylamino-thiophene-2-carboxylic acid methyl ester

2-[6-(4-fluorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-ylmethyl]benzoic acid