Isoquinolin-7-amine

Base Information

• Chemical Name: Isoquinolin-7-amine
• CAS No.: 23707-37-1
• Molecular Formula: C9H8N2
• Molecular Weight: 144.176
• Hs Code.: 29334900
• European Community (EC) Number: 640-557-2
• ChEMBL ID: CHEMBL3357795
• DSSTox Substance ID: DTXSID80562696
• Nikkaji Number: J88.193G
• Wikidata: Q72438552
• Mol file: 23707-37-1.mol

Synonyms:isoquinolin-7-amine;7-Aminoisoquinoline;23707-37-1;Isoquinolin-7-ylamine;7-ISOQUINOLINAMINE;MFCD08669932;7-Amino-isoquinoline;SCHEMBL116102;CHEMBL3357795;SCHEMBL11142663;DTXSID80562696;DRGUQIQEUWFBDE-UHFFFAOYSA-N;AKOS006282104;CS-W018610;MB06457;PS-3948;SY020017;AM20061844;A26446;EN300-102435;W-206851;7-Isoquinolinamine(9CI);7-amine-isoquinoline;Isoquinolin-7-amine

Chemical Property of Isoquinolin-7-amine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 204 °C
• Refractive Index: 1.708
• Boiling Point: 343.107 °C at 760 mmHg
• PKA: 6.18±0.10(Predicted)
• Flash Point: 188.082 °C
• PSA: 38.91000
• Density: 1.211 g/cm³
• LogP: 2.39820
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 144.068748264
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

Isoquinolin-7-amine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CN=C2)N

Technology Process of Isoquinolin-7-amine

There total 10 articles about Isoquinolin-7-amine 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: 90.0%

7-nitroisoquinoline (13058-73-6) → 7-aminoisoquinoline (23707-37-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 24.5h;

Reference yield:

7-nitro-1,2,3,4-tetrahydroisoquinoline (42923-79-5) → 7-aminoisoquinoline (23707-37-1)

Guidance literature:

palladium 10% on activated carbon; In diethylene glycol; at 220 ℃; for 0.416667h; Microwave radiation;

Reference yield:

isoquinolin-7-ol (7651-83-4) → 7-aminoisoquinoline (23707-37-1)

Guidance literature:

With ammonium hydroxide; sulfur dioxide; at 140 - 150 ℃;

DOI:10.1021/ja01200a028

upstream raw materials:

isoquinolin-7-ol

8-chloro-isoquinolin-7-ol

7-nitroisoquinoline

3,4-dihydroisoquinoline

Downstream raw materials:

C₂₄H₁₆N₂

C₂₁H₁₄N₄

C₂₂H₁₉N₃O

C₁₈H₁₂N₂

Refernces

• 1、 Indu, Satrajit,Kaliappan, Krishna P.,Telore, Rahul D.. "Construction of key building blocks towards the synthesis of cortistatins". . p. 2432 - 2446. Retrieved 2020/04/22.
• 2、 Chen, Ying,Crockett, Richard D.,Wang, Xin,Larsen, Robert D.,Cui, Sheng,Faul, Margaret M.. "Development of a scalable synthesis of a VEGFR inhibitor". supporting information. p. 301 - 304. Retrieved 2013/04/10.