1-CHLORO-3-METHYL-ISOQUINOLINE

Base Information

• Chemical Name: 1-CHLORO-3-METHYL-ISOQUINOLINE
• CAS No.: 7115-16-4
• Molecular Formula: C10H8ClN
• Molecular Weight: 177.633
• Hs Code.: 2933499090
• Mol file: 7115-16-4.mol

Synonyms:1-Chloro-3-methylisoquinoline;AC1LD1UL;CID640958;ZINC16697546;

Chemical Property of 1-CHLORO-3-METHYL-ISOQUINOLINE

Chemical Property:

• Vapor Pressure: 0.00213mmHg at 25°C
• Refractive Index: 1.634
• Boiling Point: 299.4 °C at 760 mmHg
• Flash Point: 163.1 °C
• PSA: 12.89000
• Density: 1.225 g/cm³
• LogP: 3.19660

Purity/Quality:

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

1-Chloro-3-methyl-isoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-CHLORO-3-METHYL-ISOQUINOLINE

There total 12 articles about 1-CHLORO-3-METHYL-ISOQUINOLINE 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: 85.0%

3-methylisoquinolone (7114-80-9) → 1-chloro-3-methyl-isoquinoline (7115-16-4)

Guidance literature:

With trichlorophosphate; at 100 ℃; for 2h;

DOI:10.1039/c9ob02553g

Reference yield: 79.0%

3-methylisoquinoline N-oxide (14548-00-6) → 1-chloro-3-methyl-isoquinoline (7115-16-4)

Guidance literature:

With trichloroacetonitrile; triphenylphosphine; In toluene; at 115 ℃; for 4h; regioselective reaction; Sealed tube;

DOI:10.1002/ejoc.201501567

Reference yield:

benzimidic acid ethyl ester (825-60-5) → 1-chloro-3-methyl-isoquinoline (7115-16-4)

Guidance literature:

Multi-step reaction with 3 steps

1: dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; silver hexafluoroantimonate; copper acetylacetonate; potassium hydrogencarbonate / 1,2-dichloro-ethane / 1 h / 85 °C

2: hydrogenchloride / 1,4-dioxane; water / 12 h / 100 °C

3: trichlorophosphate / 2 h / 100 °C

With hydrogenchloride; copper acetylacetonate; silver hexafluoroantimonate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; potassium hydrogencarbonate; trichlorophosphate; In 1,4-dioxane; water; 1,2-dichloro-ethane;

DOI:10.1039/c9ob02553g

upstream raw materials:

3-methylisoquinolone

3-methylisoquinolin-1-ol

trichlorophosphate

phthalic anhydride

Downstream raw materials:

C₂₃H₂₅N₃O₂

5-Methyl-s-triazolo<3,4-a>isochinolin

3-methylisoquinoline

3-methylisoquinolin-1-ol

Refernces

• 1、 -. "PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS". Paragraph 1052; 1053. . Retrieved 2018/07/05.
• 2、 Wang, Dong,Jia, Hailing,Wang, Wuchang,Wang, Zhe. "A practical and mild chlorination of fused heterocyclic N-oxides". supporting information. p. 7130 - 7132. Retrieved 2015/02/02.