5-Bromoisoquinolin-8-amine

Base Information

• Chemical Name: 5-Bromoisoquinolin-8-amine
• CAS No.: 90721-35-0
• Molecular Formula: C9H7BrN2
• Molecular Weight: 223.072
• Hs Code.: 2933499090
• European Community (EC) Number: 624-825-6
• ChEMBL ID: CHEMBL4848146
• DSSTox Substance ID: DTXSID50584865
• Wikidata: Q72438608
• Mol file: 90721-35-0.mol

Synonyms:5-Bromoisoquinolin-8-amine;90721-35-0;8-Amino-5-bromoisoquinoline;5-Bromo-8-isoquinolineamine;5-BROMO-ISOQUINOLIN-8-YLAMINE;MFCD09261047;CHEMBL4848146;5-Bromoisoquinolin-8-ylamine;8-ISOQUINOLINAMINE, 5-BROMO-;5- Bromoisoquinolin-8-amine;SCHEMBL246823;DTXSID50584865;BTFXYVXBWMRHIB-UHFFFAOYSA-N;5-BROMO-8-AMINOISOQUINOLINE;AMY26271;BCP01514;8-Amino-5-bromoisoquinoline, 90%;BDBM50578093;AKOS005256533;AB50046;AC-9426;SY065639;TS-03182;CS-0037082;A15898;EN300-174570;J-517168

Chemical Property of 5-Bromoisoquinolin-8-amine

Chemical Property:

• Vapor Pressure: 1.12E-05mmHg at 25°C
• Melting Point: 186-190 °C
• Refractive Index: 1.732
• Boiling Point: 370.3 °C at 760 mmHg
• PKA: 5.22±0.36(Predicted)
• Flash Point: 177.7 °C
• PSA: 38.91000
• Density: 1.649 g/cm³
• LogP: 3.16070
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 221.97926
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

98%min ^*data from raw suppliers

8-Amino-5-bromoisoquinoline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-36
• Safety Statements: 26-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C=CN=CC2=C1N)Br

Technology Process of 5-Bromoisoquinolin-8-amine

There total 3 articles about 5-Bromoisoquinolin-8-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:

5-bromo-8-nitroisoquinoline (63927-23-1) → 8-amino-5-bromoisoquinoline (90721-35-0)

Guidance literature:

With iron; ammonium chloride; In methanol; water; for 3h; Heating;

DOI:10.1016/j.bmc.2003.11.015

Reference yield:

5-bromoisoquinoline (34784-04-8) → 8-amino-5-bromoisoquinoline (90721-35-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 84.4 percent / KNO₃; H₂SO₄ / 1 h / 0 °C

2: NH₄Cl; Fe / methanol; H₂O / 3 h / Heating

With sulfuric acid; iron; ammonium chloride; potassium nitrate; In methanol; water;

DOI:10.1016/j.bmc.2003.11.015

Reference yield:

→ 8-amino-5-bromoisoquinoline (90721-35-0)

Guidance literature:

5-Brom-8-nitro-isochinolin, Pd/C (Eg.);

upstream raw materials:

5-bromo-8-nitroisoquinoline

5-bromoisoquinoline

Downstream raw materials:

5-bromo-8-fluoroisoquinoline

Refernces

• 1、 -. "INHIBITORS OF JUN N-TERMINAL KINASE". Page/Page column 168. . Retrieved 2010/08/18.