BMS-345541 free base

Base Information

• Chemical Name: BMS-345541 free base
• CAS No.: 445430-58-0
• Molecular Formula: C14H17N5
• Molecular Weight: 255.32
• UNII: 26SU0NEF5F
• DSSTox Substance ID: DTXSID60196216
• Nikkaji Number: J1.870.563J
• Wikipedia: BMS-345541
• Wikidata: Q4836000
• Pharos Ligand ID: U9LMS1UP1YCL
• ChEMBL ID: CHEMBL249697
• Mol file: 445430-58-0.mol

Synonyms:4(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline;BMS-345541;BMS345541

Chemical Property of BMS-345541 free base

Chemical Property:

• Boiling Point: 449.5±45.0 °C(Predicted)
• PKA: 9.02±0.10(Predicted)
• PSA: 68.24000
• Density: 1.32±0.1 g/cm3(Predicted)
• LogP: 2.64320
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: insoluble in H2O; ≥70 mg/mL in DMSO; ≥2.49 mg/mL in EtOH with gentle warming and ultrasonic
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 255.14839556
• Heavy Atom Count: 19
• Complexity: 310

Purity/Quality:

98%,99%, ^*data from raw suppliers

BMS-345541 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN

Technology Process of BMS-345541 free base

There total 1 articles about BMS-345541 free base 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-chloro-1,8-dimethylimidazo(1,2-a) quinoxaline (445430-62-6) + ethylenediamine (107-15-3,85404-18-8) → 4(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a) quinoxaline (445430-58-0)

Guidance literature:

at 60 ℃; for 16h;

Reference yield:

4(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a) quinoxaline (445430-58-0) → BMS-345541 (547757-23-3)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃;

upstream raw materials:

4-chloro-1,8-dimethylimidazo(1,2-a) quinoxaline

ethylenediamine

Downstream raw materials:

BMS-345541

Refernces