3-Bromoimidazo[1,2-B]pyridazine

Base Information

• Chemical Name: 3-Bromoimidazo[1,2-B]pyridazine
• CAS No.: 18087-73-5
• Molecular Formula: C6H4BrN3
• Molecular Weight: 198.022
• Hs Code.: 29339900
• European Community (EC) Number: 822-856-1
• UNII: SKB88Q7SYQ
• DSSTox Substance ID: DTXSID60512053
• Nikkaji Number: J151.385K
• Wikidata: Q72457091
• Mol file: 18087-73-5.mol

Synonyms:3-BROMOIMIDAZO[1,2-B]PYRIDAZINE;18087-73-5;IMIDAZO[1,2-B]PYRIDAZINE, 3-BROMO-;MFCD09757672;3-bromo-4-hydroimidazo[1,2-e]pyridazine;AtracuriumBesilateinjection;SKB88Q7SYQ;SCHEMBL477032;AMY317;DTXSID60512053;KJQVHOFAWISYDO-UHFFFAOYSA-N;BCP13281;3-bromanylimidazo[1,2-b]pyridazine;AKOS005255982;CS-W019836;FS-2868;PB23676;AC-28829;SY007258;B4652;FT-0646964;3-Bromoimidazo[1,2-b]pyridazine, AldrichCPR;A26213;EN300-113867;A812567;W-206288

Chemical Property of 3-Bromoimidazo[1,2-B]pyridazine

Chemical Property:

• Melting Point: 148.0 to 152.0 °C
• Refractive Index: 1.751
• PKA: 2.35±0.30(Predicted)
• PSA: 30.19000
• Density: 1.891 g/cm³
• LogP: 1.49180
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.95886
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

3-Bromoimidazo[1,2-b]pyridazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NC=C(N2N=C1)Br

Technology Process of 3-Bromoimidazo[1,2-B]pyridazine

There total 3 articles about 3-Bromoimidazo[1,2-B]pyridazine 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: 89.0%

imidazo[1.2-b]pyridazine (766-55-2) → 3-bromo-imidazo[1,2-b]pyridazine (18087-73-5)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); at 40 - 45 ℃;

Reference yield:

→ 3-bromo-imidazo[1,2-b]pyridazine (18087-73-5)

Guidance literature:

Imidazo<1,2-b>pyridazin, CHBr3, XeF2 (S. 276);

DOI:10.1016/S0022-1139(00)81651-6

Reference yield:

6-chloroimidazo[1,2-b]pyridazine (6775-78-6) → 3-bromo-imidazo[1,2-b]pyridazine (18087-73-5)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; hydrogen; palladium on activated charcoal / tetrahydrofuran; methanol / 16 h

2: acetic acid; bromine / 1 h / 0 - 20 °C

With palladium on activated charcoal; hydrogen; bromine; acetic acid; triethylamine; In tetrahydrofuran; methanol;

upstream raw materials:

imidazo[1.2-b]pyridazine

6-chloroimidazo[1,2-b]pyridazine

Refernces

• 1、 -. "Benzamide derivative, preparation and application". Paragraph 0079 ; 0080 ; 0081; 0082; 0083; 0084. . Retrieved 2016/10/08.
• 2、 -. "HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS". Page/Page column 107. . Retrieved 2017/01/09.