(E)-1,4-di(piperidin-1-yl)but-2-ene-1,4-dione

Base Information

• Chemical Name: (E)-1,4-di(piperidin-1-yl)but-2-ene-1,4-dione
• CAS No.: 5602-33-5
• Molecular Formula: C₁₄H₂₂N₂O₂
• Molecular Weight: 250.341
• NSC Number: 527550,101000
• Mol file: 5602-33-5.mol

Synonyms:NSC101000;5602-33-5;SCHEMBL1832187;NSC527550;NSC-101000;NSC-527550

Chemical Property of (E)-1,4-di(piperidin-1-yl)but-2-ene-1,4-dione

Chemical Property:

• Vapor Pressure: 4.01E-09mmHg at 25°C
• Boiling Point: 473.2°C at 760 mmHg
• Flash Point: 222.8°C
• Density: 1.124g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 250.168127949
• Heavy Atom Count: 18
• Complexity: 295

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C(=O)C=CC(=O)N2CCCCC2
• Isomeric SMILES: C1CCN(CC1)C(=O)/C=C/C(=O)N2CCCCC2

Technology Process of (E)-1,4-di(piperidin-1-yl)but-2-ene-1,4-dione

There total 2 articles about (E)-1,4-di(piperidin-1-yl)but-2-ene-1,4-dione 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: 68.0%

piperidine (110-89-4) + fumaryl dichloride (627-63-4) → (E)-1,4-di(piperidin-1-yl)but-2-ene-1,4-dione (142607-81-6,5602-33-5)

Guidance literature:

In diethyl ether; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.tet.2012.02.010

Reference yield:

→ (E)-1,4-di(piperidin-1-yl)but-2-ene-1,4-dione (142607-81-6,5602-33-5)

Guidance literature:

Fumarsaeure-dimethylester, Piperidin;

DOI:10.1007/BF01185918

Reference yield: 66.0%

2-[1,1-dioxo-4-(2-oxo-2-piperidin-1-yl-ethylsulfanylmethyl)-2,5-dihydro-1H-1λ6-thiophen-3-ylmethylsulfanyl]-1-piperidin-1-yl-ethanone + (E)-1,4-di(piperidin-1-yl)but-2-ene-1,4-dione (142607-81-6,5602-33-5) → 2-[(4S,5S)-2-(2-Oxo-2-piperidin-1-yl-ethylsulfanylmethyl)-4,5-bis-(piperidine-1-carbonyl)-cyclohex-1-enylmethylsulfanyl]-1-piperidin-1-yl-ethanone

Guidance literature:

In 1,2-dichloro-benzene; at 140 ℃; for 16h;

DOI:10.1021/ma048782u

upstream raw materials:

piperidine

fumaryl dichloride