4,5-DIFLUOROINDOLE

Base Information

• Chemical Name: 4,5-DIFLUOROINDOLE
• CAS No.: 247564-63-2
• Molecular Formula: C8H5 F2 N
• Molecular Weight: 153.131
• Hs Code.: 2933998090
• Mol file: 247564-63-2.mol

Synonyms:4,5-DIFLUOROINDOLE;1H-Indole,4,5-difluoro-(9CI)

Chemical Property of 4,5-DIFLUOROINDOLE

Chemical Property:

• Vapor Pressure: 0.016mmHg at 25°C
• Boiling Point: 264.5°Cat760mmHg
• PKA: 15.56±0.30(Predicted)
• Flash Point: 113.8°C
• PSA: 15.79000
• Density: 1.388g/cm³
• LogP: 2.44610
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C

Purity/Quality:

99% ^*data from raw suppliers

4,5-Difluoroindole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4,5-DIFLUOROINDOLE

There total 4 articles about 4,5-DIFLUOROINDOLE 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: 62.0%

(3,4-difluoro-2-trimethylsilanylethynylphenyl)carbamic acid ethyl ester (1268052-96-5) → 4,5-difluoro-1H-indole (247564-63-2)

Guidance literature:

With potassium hydroxide; In tert-butyl alcohol; at 70 ℃;

Reference yield:

3,4-difluoroaniline (3863-11-4) → 4,5-difluoro-1H-indole (247564-63-2)

Guidance literature:

Multi-step reaction with 4 steps

1.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C

2.1: sec.-butyllithium / cyclohexane; tetrahydrofuran / 1.17 h / -78 °C

2.2: 0.58 h / -78 °C

3.1: triethylamine; copper(l) iodide / bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 5 h / 20 °C

4.1: potassium hydroxide / tert-butyl alcohol / 70 °C

With pyridine; copper(l) iodide; sec.-butyllithium; triethylamine; potassium hydroxide; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; cyclohexane; tert-butyl alcohol;

Reference yield:

(3,4-difluorophenyl)carbamic acid ethyl ester (2145-85-9) → 4,5-difluoro-1H-indole (247564-63-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sec.-butyllithium / cyclohexane; tetrahydrofuran / 1.17 h / -78 °C

1.2: 0.58 h / -78 °C

2.1: triethylamine; copper(l) iodide / bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 5 h / 20 °C

3.1: potassium hydroxide / tert-butyl alcohol / 70 °C

With copper(l) iodide; sec.-butyllithium; triethylamine; potassium hydroxide; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; cyclohexane; tert-butyl alcohol;

upstream raw materials:

3,4-difluoroaniline

(3,4-difluorophenyl)carbamic acid ethyl ester

(3,4-difluoro-2-iodophenyl)carbamic acid ethyl ester

(3,4-difluoro-2-trimethylsilanylethynylphenyl)carbamic acid ethyl ester

Refernces