5-Fluoro-1H-indol-3-YL acetate

Base Information

• Chemical Name: 5-Fluoro-1H-indol-3-YL acetate
• CAS No.: 3849-75-0
• Molecular Formula: C₁₀H₈FNO₂
• Molecular Weight: 193.177
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00696947
• Wikidata: Q82626734
• Mol file: 3849-75-0.mol

Synonyms:5-FLUORO-1H-INDOL-3-YL ACETATE;3849-75-0;(5-fluoro-1H-indol-3-yl) acetate;5-fluoro-1H-indol-3-ylacetate;SCHEMBL6512767;DTXSID00696947;1H-Indol-3-ol,5-fluoro-,3-acetate;AKOS006281715;BS-45769;EN300-76244;E73816;A824175

Chemical Property of 5-Fluoro-1H-indol-3-YL acetate

Chemical Property:

• PSA: 42.09000
• LogP: 2.23230
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.05390666
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

99%, ^*data from raw suppliers

5-fluoro-1H-Indol-3-ol3-acetate 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CNC2=C1C=C(C=C2)F

Technology Process of 5-Fluoro-1H-indol-3-YL acetate

There total 3 articles about 5-Fluoro-1H-indol-3-YL acetate 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:

5-fluoro-1H-indole (399-52-0) → acetic acid-(5-fluoro-indol-3-yl ester) (3849-75-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide; iodine; potassium iodide / methanol; water / 3 h / 20 °C

2: acetic acid / 1 h / 90 °C

With iodine; acetic acid; potassium iodide; sodium hydroxide; In methanol; water;

DOI:10.1039/c5tc01023c

Reference yield:

silver(I) acetate (563-63-3) + 5-fluoro-3-iodo-1H-indole (868694-21-7) → acetic acid-(5-fluoro-indol-3-yl ester) (3849-75-0)

Guidance literature:

With acetic acid; at 90 ℃; for 1h;

DOI:10.1039/c5tc01023c

Reference yield:

1-acetyl-5-fluoro-1H-indol-3-yl acetate (2249-12-9) → acetic acid-(5-fluoro-indol-3-yl ester) (3849-75-0)

Guidance literature:

With sodium hydroxide; water; unter Stickstoff und Behandeln der Reaktionsloesung mit Acetanhydrid_.;

upstream raw materials:

1-acetyl-5-fluoro-1H-indol-3-yl acetate

5-fluoro-1H-indole

silver(I) acetate

5-fluoro-3-iodo-1H-indole

Refernces