2-Chlorothiazolo[4,5-h]isoquinoline

Base Information

• Chemical Name: 2-Chlorothiazolo[4,5-h]isoquinoline
• CAS No.: 35317-81-8
• Molecular Formula: C₁₀H₅ClN₂S
• Molecular Weight: 220.682
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID401295218
• Mol file: 35317-81-8.mol

Synonyms:2-Chlorothiazolo[4,5-h]isoquinoline;35317-81-8;DTXSID401295218

Chemical Property of 2-Chlorothiazolo[4,5-h]isoquinoline

Chemical Property:

• PSA: 54.02000
• LogP: 3.49790
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 219.9861970
• Heavy Atom Count: 14
• Complexity: 226

Purity/Quality:

99% ^*data from raw 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)Cl

Technology Process of 2-Chlorothiazolo[4,5-h]isoquinoline

There total 2 articles about 2-Chlorothiazolo[4,5-h]isoquinoline 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:

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

Reference yield:

7-aminoisoquinoline (23707-37-1) → 2-chloro-thiazolo[4,5-h]isoquinoline (35317-81-8)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Br₂, AcOH, MeOH, (ii) aq. HCl, EtOH

2: (i) aq. NaNO₂, H₃PO₄, HNO₃, (ii) CuCl, aq. HCl

DOI:10.1139/v71-674

Reference yield: 70.0%

2-chloro-thiazolo[4,5-h]isoquinoline (35317-81-8) → 2-Chloro-1,2,3,4-tetrahydrothiazolo<4,5-h>isoquinoline (120546-66-9)

Guidance literature:

With hydrogenchloride; sodium cyanoborohydride; In methanol;

DOI:10.1021/jm00127a027

upstream raw materials:

2-Aminothiazolo<4.5-h>isochinolin

7-aminoisoquinoline

Downstream raw materials:

Thiazolo<4,5-h>isochinolin

2-Hydroxythiazolo<4,5-h>isochinolin

2-Chloro-1,2,3,4-tetrahydrothiazolo<4,5-h>isoquinoline

1,2,3,4-Tetrahydrothiazolo[4,5-h]isoquinoline