5-FLUORO-3-METHYLBENZO[B]THIOPHENE

Base Information

• Chemical Name: 5-FLUORO-3-METHYLBENZO[B]THIOPHENE
• CAS No.: 17514-63-5
• Molecular Formula: C9H7FS
• Molecular Weight: 166.22
• Hs Code.: 2934999090
• Mol file: 17514-63-5.mol

Synonyms:5-Fluoro-3-methylbenzo[b]thiophene;5-Fluoro-3-methylbenzothiophene;Benzo[b]thiophene, 5-fluoro-3-methyl-;

Chemical Property of 5-FLUORO-3-METHYLBENZO[B]THIOPHENE

Chemical Property:

• Vapor Pressure: 0.0306mmHg at 25°C
• Refractive Index: 1.421
• Boiling Point: 247.17 °C at 760 mmHg
• Flash Point: 103.285 °C
• PSA: 28.24000
• Density: 1.245 g/cm³
• LogP: 3.34880
• Storage Temp.: 2-8°C
• Sensitive.: Stench

Purity/Quality:

99% ^*data from raw suppliers

5-Fluoro-3-methylbenzo[b]thiophene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-FLUORO-3-METHYLBENZO[B]THIOPHENE

There total 5 articles about 5-FLUORO-3-METHYLBENZO[B]THIOPHENE 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: 69.0%

1-(4-fluoro-phenylsulfanyl)propan-2-one (2968-13-0) → 5-fluoro-3-methyl-benzo[b]thiophene (17514-63-5)

Guidance literature:

With phosphoric acid; phosphorus pentoxide;

DOI:10.1016/j.bmcl.2003.08.040

Reference yield:

4-Fluorothiophenol (371-42-6) → 5-fluoro-3-methyl-benzo[b]thiophene (17514-63-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / dimethylformamide / 2 h

2: 28.71 g / polyphosphoric acid / toluene / 12 h / 100 °C

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

DOI:10.1016/j.bmc.2004.02.007

Reference yield:

4-Fluorothiophenol (371-42-6) → 5-fluoro-3-methyl-benzo[b]thiophene (17514-63-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / K₂CO₃ / acetone

2: 69 percent / P₂O₅; H₃PO₄

With phosphoric acid; phosphorus pentoxide; potassium carbonate; In acetone;

DOI:10.1016/j.bmcl.2003.08.040

upstream raw materials:

4-Fluorothiophenol

chloroacetone

1-(4-fluoro-phenylsulfanyl)propan-2-one

Downstream raw materials:

(E)-1-(5-fluoro-3-methylbenzo[b]thiophen-2-yl)-3-(1-triphenylmethyl-1H-imidazol-4-yl)-2-propen-1-one

TY-51076

boronic acid, 5-fluoro-3-methyl-benzo[b]thiophene-2-yl

2-acetyl-5-fluoro-3-methylbenzo[b]thiophene

Refernces

• 1、 Masaki, Hidekazu,Mizuno, Yusuke,Tatui, Akira,Murakami, Akira,Koide, Yuuki,Satoh, Shoji,Takahashi, Atsuo. "Structure-activity relationship of benzo[b]thiophene-2-sulfonamide derivatives as novel human chymase inhibitors". . p. 4085 - 4088. Retrieved 2007/10/03.