5,6-Difluoroindoline

Base Information

• Chemical Name: 5,6-Difluoroindoline
• CAS No.: 954255-04-0
• Molecular Formula: C8H7F2N
• Molecular Weight: 155.147
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID00588590
• Wikidata: Q82481348
• Mol file: 954255-04-0.mol

Synonyms:5,6-difluoroindoline;954255-04-0;5,6-Difluoro-2,3-dihydro-1H-indole;5 pound not6-Difluoroindoline;SCHEMBL550208;DTXSID00588590;UTLQGTYJQQKXMQ-UHFFFAOYSA-N;MFCD01075221;AKOS005218395;MB01679;5,6-difluoro-2,3-di-hydro-1H-indole;5,6-difluoro-2,3-dihydro-1 H-indole;DS-13081;DB-349734;CS-0040157;EN300-40363

Chemical Property of 5,6-Difluoroindoline

Chemical Property:

• Vapor Pressure: 0.23mmHg at 25°C
• Refractive Index: 1.516
• Boiling Point: 207 °C at 760 mmHg
• PKA: 4.30±0.20(Predicted)
• Flash Point: 79 °C
• PSA: 12.03000
• Density: 1.261 g/cm³
• LogP: 2.07080
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 155.05465555
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%,99%, ^*data from raw suppliers

5,6-Difluoroindoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=CC(=C(C=C21)F)F

Technology Process of 5,6-Difluoroindoline

There total 2 articles about 5,6-Difluoroindoline 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: 47.0%

5,6-difluoro-1H-indole (169674-01-5) → 5,6-difluoroindoline (954255-04-0)

Guidance literature:

5,6-difluoro-1H-indole; With borane-THF; In tetrahydrofuran; at 70 ℃; for 2h; Inert atmosphere;

With hydrogenchloride; methanol; In tetrahydrofuran; water; for 1h; Inert atmosphere; Reflux;

With sodium hydroxide; In water;

Reference yield: 47.0%

5,6-difluoro-1,3-dihydro-indol-2-one (71294-07-0) → 5,6-difluoroindoline (954255-04-0)

Guidance literature:

5,6-difluoro-1,3-dihydro-indol-2-one; With borane-THF; In tetrahydrofuran; at 70 ℃; for 2h; Inert atmosphere;

With hydrogenchloride; methanol; water; In tetrahydrofuran; for 1h; Reflux;

With sodium hydroxide; In water;

Reference yield: 64.0%

(S)-N-(3-chloro-4-cyanophenyl)-2-methyloxirane-2-carboxamide (1010729-04-0) + 5,6-difluoroindoline (954255-04-0) → (S)-N-(3-chloro-4-cyanophenyl)-3-(5,6-difluoroindolin-1-yl)-2-hydroxy-2-methylpropanamide

Guidance literature:

5,6-difluoroindoline; With lithium diisopropyl amide; In tetrahydrofuran; n-heptane; ethylbenzene; at -78 - 0 ℃; Inert atmosphere;

(S)-N-(3-chloro-4-cyanophenyl)-2-methyloxirane-2-carboxamide; In tetrahydrofuran; n-heptane; ethylbenzene; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.8b00973

upstream raw materials:

5,6-difluoro-1H-indole

5,6-difluoro-1,3-dihydro-indol-2-one

Refernces

• 1、 -. "NOVEL COMPOUNDS". Page/Page column 104. . Retrieved 2011/08/22.