Isoquinolin-8-ylmethanamine

Base Information

• Chemical Name: Isoquinolin-8-ylmethanamine
• CAS No.: 362606-12-0
• Molecular Formula: C10H10N2
• Molecular Weight: 158.203
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID001312599
• Mol file: 362606-12-0.mol

Synonyms:362606-12-0;ISOQUINOLIN-8-YLMETHANAMINE;C-ISOQUINOLIN-8-YL-METHYLAMINE;(Isoquinolin-8-yl)methanamine;8-(AMINOMETHYL)ISOQUINOLINE;8-Isoquinolinemethanamine;isoquinolin-8-ylmethylamine;SCHEMBL4785840;RTKXRSRADBUSHY-UHFFFAOYSA-N;DTXSID001312599;MFCD06738939;AKOS006294621;AB28224;PD049610;BB 0261014;CS-0312311;FT-0719528;F14023;Phenol, 3,4-dimethyl-,1-(N-methylcarbamate);A823180;J-521582

Chemical Property of Isoquinolin-8-ylmethanamine

Chemical Property:

• Vapor Pressure: 0.000162mmHg at 25°C
• Refractive Index: 1.662
• Boiling Point: 330.8 °C at 760 mmHg
• Flash Point: 174.5 °C
• PSA: 38.91000
• Density: 1.156 g/cm³
• LogP: 2.39380
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

98%min ^*data from raw suppliers

(Isoquinolin-8-yl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=NC=C2)C(=C1)CN

Technology Process of Isoquinolin-8-ylmethanamine

There total 3 articles about Isoquinolin-8-ylmethanamine 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:

8-bromo-isoquinoline (63927-22-0) → isoquinolin-8-ylmethanamine (362606-12-0)

Guidance literature:

Multi-step reaction with 2 steps

1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / N,N-dimethyl-formamide / 5 h / 140 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 - 20 °C / Inert atmosphere

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; lithium aluminium tetrahydride; In tetrahydrofuran; N,N-dimethyl-formamide;

Reference yield:

isoquinoline-8-carbonitrile (362606-11-9) → isoquinolin-8-ylmethanamine (362606-12-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 2h; Inert atmosphere;

Reference yield:

→ isoquinolin-8-ylmethanamine (362606-12-0)

Guidance literature:

upstream raw materials:

isoquinoline-8-carbonitrile

8-bromo-isoquinoline

Refernces

• 1、 -. "THROMBIN INHIBITORS". . . Retrieved 2008/06/13.