Isoquinolin-1-ylmethanamine

Base Information

• Chemical Name: Isoquinolin-1-ylmethanamine
• CAS No.: 40615-08-5
• Molecular Formula: C10H10 N2
• Molecular Weight: 158.203
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID20362894
• Nikkaji Number: J398.819H
• Wikidata: Q72486489
• Mol file: 40615-08-5.mol

Synonyms:isoquinolin-1-ylmethanamine;40615-08-5;1-Isoquinolinemethanamine;1-Isoquinolin-1-ylmethanamine;1-(aminomethyl)isoquinoline;C-Isoquinolin-1-yl-methylamine;(isoquinolin-1-yl)methanamine;MFCD06213370;aminomethylisoquinoline;C-Isoquinolin-1-ylmethylamine;SCHEMBL2792111;1-(isoquinolin-1-yl)methanamine;DTXSID20362894;STK686961;AKOS005600011;AB23405;AM100790;SY035455;CS-0112991;FT-0701780;EN300-57501;1-isoquinolin-1-ylmethanamine dihydrochloride, AldrichCPR

Chemical Property of Isoquinolin-1-ylmethanamine

Chemical Property:

• Vapor Pressure: 0.000451mmHg at 25°C
• Refractive Index: 1.662
• Boiling Point: 315°Cat760mmHg
• PKA: 8.70±0.30(Predicted)
• Flash Point: 164.9°C
• PSA: 38.91000
• Density: 1.156g/cm³
• LogP: 2.39380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• 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:

99% ^*data from raw suppliers

Isoquinolin-1-ylmethanamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CN=C2CN

Technology Process of Isoquinolin-1-ylmethanamine

There total 9 articles about Isoquinolin-1-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: 92.0%

1-isoquinolinecarbonitrile (1198-30-7) → [(isoquinolin-1-yl)methyl]amine (40615-08-5)

Guidance literature:

With palladium on activated charcoal; hydrogen; In acetic acid;

DOI:10.1016/j.poly.2011.10.038

Reference yield: 63.0%

N-(1-isoquinolylmethyl)phthalimide (1355450-11-1) → [(isoquinolin-1-yl)methyl]amine (40615-08-5)

Guidance literature:

With hydrazine hydrate; In methanol; for 1.5h; Reflux;

DOI:10.1021/ic202159v

Reference yield: 43.0%

→ [(isoquinolin-1-yl)methyl]amine (40615-08-5)

Guidance literature:

With hydrogenchloride; palladium on activated charcoal; In methanol; water; at 20 ℃; for 3h; under 2280.15 Torr; Autoclave;

With potassium carbonate; In water;

upstream raw materials:

1-isoquinolinecarbonitrile

1-isoquinolinecarboxylic acid

isoquinoline-1-carboxamide

imidazolyl-1-isoquinolinylmethanone

Downstream raw materials:

tris(1-isoquinolylmethyl)amine

N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)cyclohexanecarboxylic acid amide

(-)-Praziquantel

(S)-1-[(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)]cyclohexanecarboxylic acid amide

Refernces

• 1、 -. "METHOD FOR THE PRODUCTION OF PRAZIQUANTEL AND PRECURSORS THEREOF". Page/Page column 24; 25; 29; 34. . Retrieved 2017/03/21.
• 2、 Pelletier, Guillaume,Charette, Andre B.. "Triflic anhydride mediated synthesis of imidazo[1,5-a]azines". supporting information. p. 2290 - 2293. Retrieved 2013/06/26.