Methyl 5-isoquinolinecarboxylate

Base Information

• Chemical Name: Methyl 5-isoquinolinecarboxylate
• CAS No.: 16675-59-5
• Molecular Formula: C11H9 N O2
• Molecular Weight: 187.1947
• Hs Code.: 2933499090
• Mol file: 16675-59-5.mol

Synonyms:Methyl5-isoquinolinecarboxylate; NSC 226876

Chemical Property of Methyl 5-isoquinolinecarboxylate

Chemical Property:

• Vapor Pressure: 0.000174mmHg at 25°C
• Melting Point: 66℃
• Boiling Point: 329.7°Cat760mmHg
• PKA: 4.44±0.13(Predicted)
• Flash Point: 153.2°C
• PSA: 39.19000
• Density: 1.21g/cm³
• LogP: 2.02140

Purity/Quality:

NLT 98% ^*data from raw suppliers

methyl5-isoquinolinecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Methyl 5-isoquinolinecarboxylate

There total 9 articles about Methyl 5-isoquinolinecarboxylate 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: 99.0%

methanol (67-56-1) + 5-bromoisoquinoline (34784-04-8) + carbon monoxide (201230-82-2) → methyl isoquinoline-5-carboxylate (16675-59-5)

Guidance literature:

With palladium diacetate; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; at 70 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.joc.8b00190

Reference yield: 96.0%

methanol (67-56-1) + isoquinoline-5-carboxylic acid (27810-64-6) → methyl isoquinoline-5-carboxylate (16675-59-5)

Guidance literature:

With sulfuric acid; for 20h; Reflux;

Reference yield:

isoquinoline-5-carboxylic acid (27810-64-6) → methyl isoquinoline-5-carboxylate (16675-59-5)

Guidance literature:

With thionyl chloride; Erwaermen des Reaktionsprodukts mit Methanol;

DOI:10.1021/ja01870a059

upstream raw materials:

isoquinoline-5-carboxylic acid

m-bromobenzoic aldehyde

(3-bromo-benzylidenamino)-acetaldehyde diethylacetal

isoquinoline-5-carbonitrile

Downstream raw materials:

isoquinolin-5-ylmethanol

isoquinoline hydrazide

isoquinoline-5-carboxaldehyde

isoquinoline-5-carboxylic acid

Refernces

• 1、 -. "Aluminum ion detection fluorescent probe based on bifunctional organic small molecule as matrix and preparation method and application thereof". Paragraph 0066; 0084-0087. . Retrieved 2021/11/14.
• 2、 -. "ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE". . . Retrieved 2015/06/03.