1-(Pyridin-2-ylmethyl)-1,4-diazepane

Base Information

• Chemical Name: 1-(Pyridin-2-ylmethyl)-1,4-diazepane
• CAS No.: 247118-06-5
• Molecular Formula: C₁₁H₁₇N₃
• Molecular Weight: 191.276
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50378246
• Nikkaji Number: J1.731.540D
• Wikidata: Q82167793
• Mol file: 247118-06-5.mol

Synonyms:1-(pyridin-2-ylmethyl)-1,4-diazepane;247118-06-5;1-Pyridin-2-ylmethyl-[1,4]diazepane;Sodiumpikamilone;SCHEMBL2336743;DTXSID50378246;MFCD06409207;AKOS000132397;SB54107;1-[(pyridin-2-yl)methyl]-1,4-diazepane;CS-0357970;FT-0678706;EN300-2750739;A877820;Hexahydro-1-(2-pyridinylmethyl)-1H-1,4-diazepine

Chemical Property of 1-(Pyridin-2-ylmethyl)-1,4-diazepane

Chemical Property:

• Vapor Pressure: 0.00157mmHg at 25°C
• Boiling Point: 294.9°C at 760 mmHg
• PKA: 10.43±0.20(Predicted)
• Flash Point: 132.2°C
• PSA: 28.16000
• Density: 1.046g/cm³
• LogP: 1.14360
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.142247555
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

1-Pyridin-2-ylmethyl-[1,4]diazepane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCN(C1)CC2=CC=CC=N2

Technology Process of 1-(Pyridin-2-ylmethyl)-1,4-diazepane

There total 1 articles about 1-(Pyridin-2-ylmethyl)-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: 52.0%

1,4-Diazacycloheptane (505-66-8) + 2-chloromethylpyridine hydrochloride (6959-47-3) → 1-(pyridin-2-ylmethyl)-1,4-diazacycloheptane (247118-06-5)

Guidance literature:

With potassium hydroxide; In ethanol; at 20 ℃; for 96h;

DOI:10.1039/b110465a

upstream raw materials:

1,4-Diazacycloheptane

2-chloromethylpyridine hydrochloride