1-(5-Bromopyridin-2-yl)-1,4-diazepane

Base Information

• Chemical Name: 1-(5-Bromopyridin-2-yl)-1,4-diazepane
• CAS No.: 855787-68-7
• Molecular Formula: C₁₀H₁₄BrN₃
• Molecular Weight: 256.145
• DSSTox Substance ID: DTXSID80588457
• Wikidata: Q82481136
• Mol file: 855787-68-7.mol

Synonyms:855787-68-7;1-(5-Bromopyridin-2-yl)-1,4-diazepane;1-(5-BROMO-2-PYRIDINYL)-1,4-DIAZEPANE;1H-1,4-Diazepine,1-(5-bromo-2-pyridinyl)hexahydro-;SCHEMBL593235;DTXSID80588457;HGPQRNSDOVULHZ-UHFFFAOYSA-N;AKOS000139865;1-(5-bromo-2-pyridyl)-1,4-diazepane;1-(5-Bromo-pyridin-2-yl)-[1,4]diazepane;A1-01380

Chemical Property of 1-(5-Bromopyridin-2-yl)-1,4-diazepane

Chemical Property:

• Vapor Pressure: 8.15E-06mmHg at 25°C
• Refractive Index: 1.564
• Boiling Point: 374.8°C at 760 mmHg
• Flash Point: 180.5°C
• PSA: 28.16000
• Density: 1.385g/cm³
• LogP: 2.03760
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 255.03711
• Heavy Atom Count: 14
• Complexity: 177

Purity/Quality:

95%-98% ^*data from raw suppliers

1-(5-Bromo-2-pyridinyl)-1,4-diazepane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCN(C1)C2=NC=C(C=C2)Br

Technology Process of 1-(5-Bromopyridin-2-yl)-1,4-diazepane

There total 2 articles about 1-(5-Bromopyridin-2-yl)-1,4-diazepane 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: 51.0%

1,4-Diazacycloheptane (505-66-8) + 5-bromo-2-fluoropyridine (766-11-0) → 1-(5-bromo-pyridin-2-yl)-1,4-diazepane (855787-68-7)

Guidance literature:

In acetonitrile; at 50 ℃; for 3h;

Reference yield:

tert-butyl 4-(5-bromopyridine-2-yl)-1,4-diazepane-1-carboxylate (855787-67-6) → 1-(5-bromo-pyridin-2-yl)-1,4-diazepane (855787-68-7)

Guidance literature:

tert-butyl 4-(5-bromopyridine-2-yl)-1,4-diazepane-1-carboxylate; With hydrogenchloride; ethanol; isopropyl alcohol; In 1,4-dioxane; at 70 ℃; for 3h;

With ammonia; In dichloromethane; water; pH=14;

upstream raw materials:

tert-butyl 4-(5-bromopyridine-2-yl)-1,4-diazepane-1-carboxylate

1,4-Diazacycloheptane

5-bromo-2-fluoropyridine

Refernces

• 1、 -. "Derivatives of 1-piperazine-and 1-homopiperazine-carboxylates, preparation method thereof and use of same as inhibitors of the FAAH enzyme". Page/Page column 11. . Retrieved 2008/06/13.