Thiazolo[4,5-h]isoquinolin-2-amine

Base Information

• Chemical Name: Thiazolo[4,5-h]isoquinolin-2-amine
• CAS No.: 35317-80-7
• Molecular Formula: C₁₀H₇N₃S
• Molecular Weight: 201.252
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00562698
• Wikidata: Q82446955
• Mol file: 35317-80-7.mol

Synonyms:Thiazolo[4,5-h]isoquinolin-2-amine;35317-80-7;[1,3]thiazolo[4,5-h]isoquinolin-2-amine;Thiazolo[4,5-h]isoquinolin-2-amine (9CI);DTXSID00562698;MFCD22199995;AKOS015919586;DS-17187;CS-0006110;Y10533;A874640;J-524917

Chemical Property of Thiazolo[4,5-h]isoquinolin-2-amine

Chemical Property:

• Boiling Point: 454.2±37.0 °C(Predicted)
• PKA: 3.51±0.50(Predicted)
• PSA: 80.77000
• Density: 1.481±0.06 g/cm3(Predicted)
• LogP: 2.35680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 201.03606841
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

99%, ^*data from raw suppliers

Thiazolo[4,5-h]isoquinolin-2-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C3=C1C=CN=C3)SC(=N2)N

Technology Process of Thiazolo[4,5-h]isoquinolin-2-amine

There total 1 articles about Thiazolo[4,5-h]isoquinolin-2-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:

7-aminoisoquinoline (23707-37-1) + potassium thioacyanate (333-20-0) → 2-Aminothiazolo<4.5-h>isochinolin (35317-80-7)

Guidance literature:

Multistep reaction; (i) Br₂, AcOH, MeOH, (ii) aq. HCl, EtOH;

DOI:10.1139/v71-674

Reference yield: 15.0%

2-Aminothiazolo<4.5-h>isochinolin (35317-80-7) → 2-Amino-1,2,3,4-tetrahydrothiazolo[4,5-h]isoquinoline (120546-68-1)

Guidance literature:

With hydrogenchloride; sodium cyanoborohydride; In methanol;

DOI:10.1021/jm00127a027

Reference yield:

2-Aminothiazolo<4.5-h>isochinolin (35317-80-7) → 2-chloro-thiazolo[4,5-h]isoquinoline (35317-81-8)

Guidance literature:

Multistep reaction; (i) aq. NaNO₂, H₃PO₄, HNO₃, (ii) CuCl, aq. HCl;

DOI:10.1139/v71-674

upstream raw materials:

7-aminoisoquinoline

potassium thioacyanate

Downstream raw materials:

2-chloro-thiazolo[4,5-h]isoquinoline

2-Amino-1,2,3,4-tetrahydrothiazolo[4,5-h]isoquinoline

Thiazolo<4,5-h>isochinolin

2-Hydroxythiazolo<4,5-h>isochinolin

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