1-Hydrazinoisoquinoline

Base Information

• Chemical Name: 1-Hydrazinoisoquinoline
• CAS No.: 15793-94-9
• Molecular Formula: C9H9N3
• Molecular Weight: 159.191
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80468508
• Mol file: 15793-94-9.mol

Synonyms:15793-94-9;1-Hydrazinoisoquinoline;1-(Isoquinolin-1-yl)hydrazine;1-hydrazinylisoquinoline;Isoquinolin-1-ylhydrazine;1-Hydrazinoisoquinoline hydrochloride;1-Hydrazinoisochinolin;Isoquinoline, 1-hydrazino-;SCHEMBL159146;DTXSID80468508;MFCD09834980;STK737670;AKOS005536671;AB52996;BS-21582;CS-0205631;F16016;A905021;J-504788

Chemical Property of 1-Hydrazinoisoquinoline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 143 °C
• Boiling Point: 315.8±45.0 °C(Predicted)
• PKA: 7.57±0.20(Predicted)
• PSA: 50.94000
• Density: 1.25±0.1 g/cm3(Predicted)
• LogP: 2.29370
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 159.079647300
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

98%min ^*data from raw suppliers

1-(Isoquinolin-1-yl)hydrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CN=C2NN

Technology Process of 1-Hydrazinoisoquinoline

There total 6 articles about 1-Hydrazinoisoquinoline 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-chloroisoquinoline (19493-44-8) → 1-hydrazino-isoquinoline (15793-94-9)

Guidance literature:

With hydrazine hydrate; In ethanol; Reflux;

DOI:10.1016/j.tetlet.2020.151844

Reference yield: 53.0%

→ 1-hydrazino-isoquinoline (15793-94-9)

Guidance literature:

Reference yield:

1-isoquinolone (491-30-5) → 1-hydrazino-isoquinoline (15793-94-9)

Guidance literature:

Multi-step reaction with 2 steps

1: phenylphosphonic dichloride / dioxane / 12 h / Heating

2: hydrazine / dioxane / 6 h / Heating

With P,P-dichlorophenylphosphine oxide; hydrazine; In 1,4-dioxane;

DOI:10.1021/jm00100a017

upstream raw materials:

isoquinoline

1-chloroisoquinoline

1-hydroxyisoquinoline

hydrazine

Downstream raw materials:

N-Isoquinolin-1-yl-N'-[1-phenyl-1-pyridin-2-yl-meth-(Z)-ylidene]-hydrazine

tert-butyl [(1R)-1-(2,5-difluorobenzyl)-3-(2-isoquinolin-1-ylhydrazino)-3-oxopropyl]carbamate

N-(3-chloro-5-(((4-cyano-1-(isoquinolin-1-yl)-3-methyl-1H-pyrazol-5-yl)amino)methyl)-2-hydroxyphenyl)propionamide

3-phenyl-[1,2,4]triazolo[3,4-a]isoquinoline

Refernces

• 1、 Liu, Lingfeng,Qiao, Chunhua,Shen, Bei,Xu, Yiwen. "Metal free [4+1] and [5+1] annulation reactions to prepare heterocycles using DMF and its derivatives as one-carbon source". supporting information. . Retrieved 2020/04/01.
• 2、 -. "PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS". Paragraph 0894; 0895. . Retrieved 2018/07/05.