5-Fluoro-1-benzothiophene-2-carbaldehyde

Base Information

• Chemical Name: 5-Fluoro-1-benzothiophene-2-carbaldehyde
• CAS No.: 698367-29-2
• Molecular Formula: C9H5FOS
• Molecular Weight: 180.203
• Hs Code.: 2934999090
• Mol file: 698367-29-2.mol

Synonyms:5-fluorobenzo[b]thiophene-2-carbaldehyde;5-fluorobenzo[b]thiophene-2-carboxaldehyde;FE-0738;fluorobenzothiophenecarbaldehyde;

Chemical Property of 5-Fluoro-1-benzothiophene-2-carbaldehyde

Chemical Property:

• Melting Point: 122 °C(Solv: ethanol (64-17-5))
• Boiling Point: 307.0±22.0 °C(Predicted)
• PSA: 45.31000
• Density: 1.397±0.06 g/cm3(Predicted)
• LogP: 2.85290

Purity/Quality:

97% ^*data from raw suppliers

5-Fluoro-1-benzothiophene-2-carbaldehyde >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5-Fluoro-1-benzothiophene-2-carbaldehyde

There total 6 articles about 5-Fluoro-1-benzothiophene-2-carbaldehyde 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: 99.0%

5-fluorobenzo[b]thiophene (70060-12-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-fluorobenzo[b]thiophene-2-carboxaldehyde (698367-29-2)

Guidance literature:

5-fluorobenzo[b]thiophene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

DOI:10.1016/j.bmc.2004.02.007

Reference yield: 88.23%

(5-fluorobenzo[b]thiophen-2-yl)methanol (13771-73-8) → 5-fluorobenzo[b]thiophene-2-carboxaldehyde (698367-29-2)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 52 ℃; for 2h;

Reference yield:

2,5-difluorobenzaldehyde (2646-90-4) → 5-fluorobenzo[b]thiophene-2-carboxaldehyde (698367-29-2)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 53 percent / potassium carbonate / dimethylformamide / 20 h / 20 - 60 °C

2.1: 99 percent / KOH / ethanol; H₂O / 1.5 h / Heating

3.1: 92 percent / copper; quinoline / 2 h / 185 °C

4.1: n-BuLi / tetrahydrofuran; hexane / 1 h / -78 °C

4.2: 99 percent / tetrahydrofuran; hexane / 1 h / -78 °C

With quinoline; potassium hydroxide; n-butyllithium; copper; potassium carbonate; In tetrahydrofuran; ethanol; hexane; water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2004.02.007

upstream raw materials:

5-fluorobenzo[b]thiophene

N,N-dimethyl-formamide

5-fluorobenzo[b]thiophene-2-carboxylic acid

ethyl 5-fluorobenzo[b]thiophene-2-carboxylate

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