2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine Hydrogen Tribromide

Base Information

• Chemical Name: 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine Hydrogen Tribromide
• CAS No.: 138666-59-8
• Molecular Formula: C9H17Br3N2
• Molecular Weight: 392.96
• Hs Code.: 29335990
• DSSTox Substance ID: DTXSID50693709
• Mol file: 138666-59-8.mol

Synonyms:DBUHBr_3;DTXSID50693709;PUBCHEM_53384399;2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine Hydrogen Tribromide;D3976

Chemical Property of 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine Hydrogen Tribromide

Chemical Property:

• Melting Point: 117-120 °C(lit.)
• Refractive Index: ">
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 15.60000
• Density: g/cm³
• LogP: 3.68740
• Sensitive.: Moisture & Light Sensitive
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 391.89214
• Heavy Atom Count: 14
• Complexity: 163

Purity/Quality:

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

1,8-Diazabicyclo[5.4.0]-7-undecene Hydrogen Tribromide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [H+].C1CCC2=NCCCN2CC1.Br[Br-]Br

Technology Process of 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine Hydrogen Tribromide

There total 1 articles about 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine Hydrogen Tribromide 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: 92.0%

1,8-diazabicyclo[5.4.0]undec-7-ene (6674-22-2,83329-50-4) → 1,8-diazabicyclo<5.4.0>undec-7-ene hydrobromide perbromide (138666-59-8)

Guidance literature:

With hydrogen bromide; bromine; In acetic acid; at 20 - 25 ℃; reagents: aq. HBr, NaBrO₃;

DOI:10.1021/jo00035a038

upstream raw materials:

1,8-diazabicyclo[5.4.0]undec-7-ene

Refernces