Pipobroman

Base Information

• Chemical Name: Pipobroman
• CAS No.: 54-91-1
• Molecular Formula: C₁₀H₁₆Br₂N₂O₂
• Molecular Weight: 356.057
• European Community (EC) Number: 620-535-9
• NSC Number: 758461,25154
• UNII: 6Q99RDT97R
• DSSTox Substance ID: DTXSID7023485
• Nikkaji Number: J4.157B
• Wikipedia: Pipobroman
• Wikidata: Q15366704
• NCI Thesaurus Code: C750
• Metabolomics Workbench ID: 42638
• ChEMBL ID: CHEMBL1585
• Mol file: 54-91-1.mol

Synonyms:Pipobroman;Vercyte

Chemical Property of Pipobroman

Chemical Property:

• Vapor Pressure: 1.23E-09mmHg at 25°C
• Melting Point: 106-107℃
• Refractive Index: 1.6220 (estimate)
• Boiling Point: 487.1°Cat760mmHg
• PKA: -0.56±0.70(Predicted)
• Flash Point: 248.4°C
• Density: 1.691g/cm³
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 355.95580
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

98%min ^*data from raw suppliers

Pipobroman ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1C(=O)CCBr)C(=O)CCBr
• Recent EU Clinical Trials: Randomized, open label, multicenter phase III study of Efficacy and Safety in Polycythemia vera subjects who are resistant to or intolerant of hydroxyurea: JAK iNhibitor INC424 tablets versus best available care (The RESPONSE Trial)
• Therapeutic Function: Antineoplastic

Technology Process of Pipobroman

There total 2 articles about Pipobroman 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: 81.4%

piperazine (110-85-0) + 1-bromo-3-propanol (627-18-9) → pipobroman (54-91-1)

Guidance literature:

With sodium hydride; In toluene; mineral oil; at 20 ℃; for 8h; Reagent/catalyst; Solvent; Irradiation; Green chemistry;

Reference yield:

→ pipobroman (54-91-1)

Guidance literature:

Piperazin-hexahydrat, 3-Brom-propionylchlorid in Ae., NaHCO3;

upstream raw materials:

piperazine

1-bromo-3-propanol

Refernces