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

Base Information

• Chemical Name: 1-(Pyridin-2-YL)-1,4-diazepane
• CAS No.: 287114-32-3
• Molecular Formula: C10H15N3
• Molecular Weight: 177.249
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90378245
• Nikkaji Number: J1.570.570A
• Wikidata: Q72504174
• ChEMBL ID: CHEMBL4515199
• Mol file: 287114-32-3.mol

Synonyms:287114-32-3;1-(PYRIDIN-2-YL)-1,4-DIAZEPANE;1-Pyridin-2-yl-[1,4]diazepane;1-(2-Pyridyl)homopiperazine;1-pyridin-2-yl-1,4-diazepane;1-(2-Pyridinyl)hexahydro-1H-1,4-diazepine;1H-1,4-Diazepine, hexahydro-1-(2-pyridinyl)-;SCHEMBL1484965;CHEMBL4515199;DTXSID90378245;AMY24745;MFCD06409204;AKOS000181968;SB52727;AS-41687;1-(2-Pyridyl)hexahydro-1H-1,4-diazepine;A5421;BB 0256856;FT-0656353;1-(2-Pyridinyl)-1,4-diazepane, AldrichCPR;EN300-135761;Z316258008;W6J

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.535
• Boiling Point: 324.473 °C at 760 mmHg
• PKA: 10.34±0.20(Predicted)
• Flash Point: 150.036 °C
• PSA: 28.16000
• Density: 1.05 g/cm³
• LogP: 1.27510
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.126597491
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

1-(pyridin-2-yl)-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=CC=CC=N2

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

There total 7 articles about 1-(Pyridin-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: 97.0%

tert-butyl 4-(2-pyridyl)-1,4-diazepane-1-carboxylate (632334-60-2) → 1-(2-pyridinyl)-1,4-diazepane (287114-32-3)

Guidance literature:

tert-butyl 4-(2-pyridyl)-1,4-diazepane-1-carboxylate; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 3h; Cooling with ice;

With sodium hydroxide; In water;

DOI:10.1016/j.bmc.2013.01.071

Reference yield: 97.0%

tert-butyl 2-pyridin-2-yl-1,4-diazepane-1-carboxylate → 1-(2-pyridinyl)-1,4-diazepane (287114-32-3)

Guidance literature:

tert-butyl 2-pyridin-2-yl-1,4-diazepane-1-carboxylate; With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 3h;

With sodium hydroxide; In water;

Reference yield: 72.0%

1,4-Diazacycloheptane (505-66-8) + 2-chloropyridine (109-09-1) → 1-(2-pyridinyl)-1,4-diazepane (287114-32-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl acetamide; at 180 - 200 ℃; for 0.666667h; Microwave irradiation;

upstream raw materials:

1,4-Diazacycloheptane

2-bromo-pyridine

tert-butyl 1,4-diazepine-1-carboxylate

tert-butyl 4-(2-pyridyl)-1,4-diazepane-1-carboxylate

Downstream raw materials:

1,1-diethyl-4-(2-pyridyl)-homopiperazinium tosylate

1-{1-[(2-chlorophenyl)methyl]piperidin-4-yl}-4-(pyridin-2-yl)-1,4-diazepane

tert-butyl 1,4-diazepine-1-carboxylate

Refernces

• 1、 Saito, Keiji,Nakao, Akira,Shinozuka, Tsuyoshi,Shimada, Kousei,Matsui, Satoshi,Oizumi, Kiyoshi,Yano, Kazuki,Ohata, Keiko,Nakai, Daisuke,Nagai, Yoko,Naito, Satoru. "Discovery and structure-activity relationship of thienopyridine derivatives as bone anabolic agents". . p. 1628 - 1642. Retrieved 2013/04/24.
• 2、 -. "TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME". Page/Page column 73. . Retrieved 2009/01/24.