1,3-Dichloro-7-fluoroisoquinoline

Base Information

• Chemical Name: 1,3-Dichloro-7-fluoroisoquinoline
• CAS No.: 941294-25-3
• Molecular Formula: C₉H₄Cl₂FN
• Molecular Weight: 216.042
• Hs Code.: 2933499090
• Mol file: 941294-25-3.mol

Synonyms:1,3-Dichloro-7-fluoroisoquinoline;

Chemical Property of 1,3-Dichloro-7-fluoroisoquinoline

Chemical Property:

• Vapor Pressure: 0.000285mmHg at 25°C
• Refractive Index: 1.636
• Boiling Point: 332.3 °C at 760 mmHg
• Flash Point: 154.7 °C
• PSA: 12.89000
• Density: 1.491 g/cm³
• LogP: 3.68070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

1,3-Dichloro-7-fluoroisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1,3-dichloro-7-fluoroisoquinoline is useful reactant with the preparation of chiral 1,?2,?3,?4-?tetrahydroisoquinolines (THIQs).

Technology Process of 1,3-Dichloro-7-fluoroisoquinoline

There total 2 articles about 1,3-Dichloro-7-fluoroisoquinoline 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:

6-fluoro-2-(hydroxyimino)-2,3-dihydro-1Hinden-1-one (82455-07-0) → 1,3-dichloro-7-fluoroisoquinoline (941294-25-3)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; at 80 ℃;

Reference yield:

6-fluoroindan-1-one (1481-32-9) → 1,3-dichloro-7-fluoroisoquinoline (941294-25-3)

Guidance literature:

Multi-step reaction with 2 steps

1: isopentyl nitrite; hydrogenchloride / 1,4-dioxane; diethyl ether / 3 h / 0 - 20 °C

2: phosphorus pentachloride; trichlorophosphate / 80 °C

With hydrogenchloride; phosphorus pentachloride; trichlorophosphate; isopentyl nitrite; In 1,4-dioxane; diethyl ether;

Reference yield:

1,3-dichloro-7-fluoroisoquinoline (941294-25-3) + phenylboronic acid (98-80-6) → 7-fluoro-1,3-diphenylisoquinoline

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; cesium fluoride; In 1,2-dimethoxyethane; at 110 ℃; for 7h;

DOI:10.1002/chem.201405408

upstream raw materials:

6-fluoroindan-1-one

6-fluoro-2-(hydroxyimino)-2,3-dihydro-1Hinden-1-one

Refernces

• 1、 -. "GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE". . . Retrieved 2019/07/17.