4-Bromoisoquinolin-5-amine

Base Information

• Chemical Name: 4-Bromoisoquinolin-5-amine
• CAS No.: 16552-65-1
• Molecular Formula: C₉H₇BrN₂
• Molecular Weight: 223.072
• Hs Code.: 2933499090
• European Community (EC) Number: 963-619-3
• DSSTox Substance ID: DTXSID70561895
• Wikidata: Q82445818
• Mol file: 16552-65-1.mol

Synonyms:4-Bromoisoquinolin-5-amine;16552-65-1;4-Bromo-isoquinolin-5-ylamine;5-AMINO-4-BROMOISOQUINOLINE;5-Amino-4-bromo-isoquinoline;5-Isoquinolinamine, 4-bromo-;5-Isoquinolinamine,4-bromo-(9CI);MFCD11506153;4-BROMO-5-AMINOISOQUINOLINE;5-isoquinolinamine,4-bromo-;5-amino- 4-bromoisoquinoline;SCHEMBL4531509;DTXSID70561895;RJLUYBOSXJNQBN-UHFFFAOYSA-N;AMY26207;AKOS022174617;SB34130;SY164513;CS-0136801;EN300-181914;A882393;Z1269243074

Chemical Property of 4-Bromoisoquinolin-5-amine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.732
• Boiling Point: 375.284°C at 760 mmHg
• PKA: 3.61±0.14(Predicted)
• Flash Point: 180.765°C
• PSA: 38.91000
• Density: 1.649g/cm³
• LogP: 3.16070
• Storage Temp.: 2-8°C(protect from light)
• 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:

97% ^*data from raw suppliers

4-bromoisoquinolin-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromoisoquinolin-5-amine

There total 6 articles about 4-Bromoisoquinolin-5-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:

4-bromo-5-nitro-isoquinoline (58142-46-4) → 5-Amino-4-bromo-isoquinoline (16552-65-1) + 4-bromo-5-isoquinolinesulphonyl chloride (127625-94-9)

Guidance literature:

With stannous chloride; In hydrogenchloride;

Reference yield:

4-bromo-5-nitro-isoquinoline (58142-46-4) → 5-Amino-4-bromo-isoquinoline (16552-65-1)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

Reference yield:

4-bromoisoquinoline (1532-97-4) → 5-Amino-4-bromo-isoquinoline (16552-65-1)

Guidance literature:

Multi-step reaction with 2 steps

1: HNO₃+H₂SO₄

2: tin dichloride; alcoholic hydrochloric acid

With hydrogenchloride; sulfuric acid; nitric acid; tin(ll) chloride;

upstream raw materials:

4-bromo-5-nitro-isoquinoline

isoquinoline

4-bromoisoquinoline

isoquinoline hydrochloride

Downstream raw materials:

4-bromo-5-hydroxyisoquinoline

5-amino-4-vinylisoquinoline

4-bromo-5-isoquinolinesulphonyl chloride

4-bromo-5-isoquinolinesulphonamide