1,3-Dichloro-5-methylisoquinoline

Base Information

• Chemical Name: 1,3-Dichloro-5-methylisoquinoline
• CAS No.: 21902-40-9
• Molecular Formula: C₁₀H₇Cl₂N
• Molecular Weight: 212.078
• Hs Code.: 2933499090
• Mol file: 21902-40-9.mol

Synonyms:1,3-Dichloro-5-methylisoquinoline;

Chemical Property of 1,3-Dichloro-5-methylisoquinoline

Chemical Property:

• Boiling Point: 320.7 °C at 760 mmHg
• Flash Point: 177.3 °C
• PSA: 12.89000
• Density: 1.351g/cm³
• LogP: 3.85000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

1,3-Dichloro-5-methylisoquinoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,3-Dichloro-5-methylisoquinoline

There total 4 articles about 1,3-Dichloro-5-methylisoquinoline 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:

2-(cyanomethyl)-3-methylbenzoic acid (476493-37-5) → 1,3-dichloro-5-methylisoquinoline (21902-40-9)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; at 0 - 20 ℃; for 74h; Inert atmosphere;

DOI:10.1055/s-0035-1561355

Reference yield:

4-methylindanone (24644-78-8) → 1,3-dichloro-5-methylisoquinoline (21902-40-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydrogenchloride; isopentyl nitrite / water; diethyl ether / 2 h / 0 - 20 °C / Inert atmosphere

2.1: sodium hydroxide / 50 °C / Inert atmosphere

2.2: 0.5 h / 80 °C

3.1: phosphorus pentachloride; trichlorophosphate / 74 h / 0 - 20 °C / Inert atmosphere

With hydrogenchloride; phosphorus pentachloride; sodium hydroxide; trichlorophosphate; isopentyl nitrite; In diethyl ether; water;

DOI:10.1055/s-0035-1561355

Reference yield:

2-(hydroxyimino)-4-methyl-2,3-dihydro-1H-inden-1-one (24623-26-5) → 1,3-dichloro-5-methylisoquinoline (21902-40-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide / 50 °C / Inert atmosphere

1.2: 0.5 h / 80 °C

2.1: phosphorus pentachloride; trichlorophosphate / 74 h / 0 - 20 °C / Inert atmosphere

With phosphorus pentachloride; sodium hydroxide; trichlorophosphate;

DOI:10.1055/s-0035-1561355

upstream raw materials:

4-methylindanone

2-(hydroxyimino)-4-methyl-2,3-dihydro-1H-inden-1-one

2-(cyanomethyl)-3-methylbenzoic acid

Refernces