6-Fluoroindoline

Base Information

• Chemical Name: 6-Fluoroindoline
• CAS No.: 2343-23-9
• Molecular Formula: C8H8FN
• Molecular Weight: 137.157
• Hs Code.: 2933990090
• NSC Number: 91563
• DSSTox Substance ID: DTXSID70293700
• Wikidata: Q72480209
• Mol file: 2343-23-9.mol

Synonyms:6-Fluoroindoline;2343-23-9;6-fluoro-2,3-dihydro-1H-indole;1H-Indole, 6-fluoro-2,3-dihydro-;MFCD00022791;1H-INDOLE,6-FLUORO-2,3-DIHYDRO-;NSC91563;Indoline, 6-fluoro-;2,3-dihydro-6-fluoroindole;SCHEMBL549252;2,3-dihydro-6-fluoro-indole;DTXSID70293700;PBLNKUULIMDAIC-UHFFFAOYSA-N;AMY13587;NSC-91563;AKOS008137352;AB01334;AC-27812;SY107270;A4914;CS-0199049;FT-0600264;6-Fluoro-2,3-dihydro-1H-indole, AldrichCPR;EN300-59996;F21334;A1-08627;Q-101957;Q-102608;Z440803576

Chemical Property of 6-Fluoroindoline

Chemical Property:

• Vapor Pressure: 0.224mmHg at 25°C
• Refractive Index: 1.538
• Boiling Point: 207.5 °C at 760 mmHg
• PKA: 4.44±0.20(Predicted)
• Flash Point: 79.3 °C
• PSA: 12.03000
• Density: 1.154 g/cm³
• LogP: 1.93170
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 137.064077422
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

6-Fluoro-2,3-dihydro-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=C1C=CC(=C2)F

Technology Process of 6-Fluoroindoline

There total 2 articles about 6-Fluoroindoline 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%

6-fluoro-1H-indole (399-51-9) → 6-fluoroindoline (2343-23-9)

Guidance literature:

6-fluoro-1H-indole; With sodium cyanoborohydride; acetic acid; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

With water; sodium hydroxide; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2014.01.028

Reference yield:

→ 6-fluoro-1H-indole (399-51-9) + 6-fluoroindoline (2343-23-9)

Guidance literature:

Reference yield: 95.0%

6-fluoroindoline (2343-23-9) → 6-fluoro-1H-indole (399-51-9)

Guidance literature:

With mesoporous Co₃O₄; air; In dimethyl sulfoxide; at 140 ℃; for 24h; under 760.051 Torr; Schlenk technique;

DOI:10.1002/cctc.202100644

upstream raw materials:

6-fluoro-1H-indole

Downstream raw materials:

C₁₉H₂₃N₂F

C₁₉H₂₂N₂F₂

C₁₉H₂₁N₂F

C₁₈H₁₉FN₂

Refernces

• 1、 Borghs, Jannik C.,Zubar, Viktoriia,Zubar, Viktoriia,Azofra, Luis Miguel,Sklyaruk, Jan,Rueping, Magnus,Rueping, Magnus. "Manganese-Catalyzed Regioselective Dehydrogenative C-versus N-Alkylation Enabled by a Solvent Switch: Experiment and Computation". supporting information. p. 4222 - 4227. Retrieved 2020/06/04.
• 2、 Karjee, Pallab,Sarkar, Tanumay,Kar, Subhradeep,Punniyamurthy, Tharmalingam. "Transition-Metal-Free Stereospecific Oxidative Annulative Coupling of Indolines with Aziridines". . p. 8261 - 8270. Retrieved 2020/07/25.