1-Isoquinolinecarbonyl chloride, 8-methyl- (9CI)

Base Information

• Chemical Name: 1-Isoquinolinecarbonyl chloride, 8-methyl- (9CI)
• CAS No.: 174873-76-8
• Molecular Formula: C₁₁H₈ClNO
• Molecular Weight: 205.644
• Mol file: 174873-76-8.mol

Synonyms:1-Isoquinolinecarbonyl chloride, 8-methyl- (9CI)

Chemical Property of 1-Isoquinolinecarbonyl chloride, 8-methyl- (9CI)

Chemical Property:

• PSA: 29.96000
• LogP: 2.92220

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-Isoquinolinecarbonyl chloride, 8-methyl- (9CI)

There total 4 articles about 1-Isoquinolinecarbonyl chloride, 8-methyl- (9CI) 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: 98.0%

8-Methyl-isoquinoline-1-carboxylic acid (174873-78-0) → 8-Methyl-isoquinoline-1-carbonyl chloride (174873-76-8)

Guidance literature:

With thionyl chloride; at 60 ℃; for 3h;

DOI:10.3987/COM-95-S60

Reference yield:

2-Methylacetophenone (577-16-2,122382-54-1) → 8-Methyl-isoquinoline-1-carbonyl chloride (174873-76-8)

Guidance literature:

Multi-step reaction with 4 steps

1: toluene / Heating

2: 43 percent / PPA / 15 h / 120 °C

3: 1.) SeO₂; 2.) Ag₂O, NaOH / 1.) dioxane, reflux, 6 h; 2.) 60 deg C

4: 98 percent / SOCl₂ / 3 h / 60 °C

With sodium hydroxide; selenium(IV) oxide; thionyl chloride; silver(l) oxide; In toluene;

DOI:10.3987/COM-95-S60

Reference yield:

1,8-dimethylisoquinoline (102878-54-6) → 8-Methyl-isoquinoline-1-carbonyl chloride (174873-76-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) SeO₂; 2.) Ag₂O, NaOH / 1.) dioxane, reflux, 6 h; 2.) 60 deg C

2: 98 percent / SOCl₂ / 3 h / 60 °C

With sodium hydroxide; selenium(IV) oxide; thionyl chloride; silver(l) oxide;

DOI:10.3987/COM-95-S60

upstream raw materials:

8-Methyl-isoquinoline-1-carboxylic acid

1,8-dimethylisoquinoline

N-acetaldehyde dimethyl acetal-α-(o-toluyl)ethane imine

2-Methylacetophenone

Refernces