1-Pyrazin-2-yl-1,4-diazepane

Base Information

• Chemical Name: 1-Pyrazin-2-yl-1,4-diazepane
• CAS No.: 502133-53-1
• Molecular Formula: C₉H₁₄N₄
• Molecular Weight: 178.237
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40394238
• Mol file: 502133-53-1.mol

Synonyms:502133-53-1;1-(Pyrazin-2-yl)-1,4-diazepane;1-pyrazin-2-yl-1,4-diazepane;1-Pyrazin-2-yl-[1,4]diazepane;MFCD05182299;DTXSID40394238;1-(2-pyrazinyl)-1,4-diazepane;CVA13353;AKOS000129196;TS-02491

Chemical Property of 1-Pyrazin-2-yl-1,4-diazepane

Chemical Property:

• Vapor Pressure: 0.000141mmHg at 25°C
• Boiling Point: 333°C at 760 mmHg
• Flash Point: 155.2°C
• PSA: 41.05000
• Density: 1.1g/cm³
• LogP: 0.67010
• Storage Temp.: 2-8°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 178.121846464
• Heavy Atom Count: 13
• Complexity: 151

Purity/Quality:

95+% ^*data from raw suppliers

1-Pyrazin-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=NC=CN=C2

Technology Process of 1-Pyrazin-2-yl-1,4-diazepane

There total 1 articles about 1-Pyrazin-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:

C14H22N4O2 (1100227-54-0) → 1-(pyrazin-2-yl)-1,4-diazepane (502133-53-1)

Guidance literature:

With hydrogenchloride; water; In ethyl acetate; at 20 ℃; for 12h;

DOI:10.1016/j.bmcl.2008.10.076

Reference yield:

1-(pyrazin-2-yl)-1,4-diazepane (502133-53-1) + (3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid (486460-00-8,922178-94-7) → C24H30F3N5O3 (1100227-60-8)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1016/j.bmcl.2008.10.076

upstream raw materials:

C₁₄H₂₂N₄O₂

Downstream raw materials:

C₂₄H₃₀F₃N₅O₃

Refernces