1,1'-Carbonyldipiperidine

Base Information

• Chemical Name: 1,1'-Carbonyldipiperidine
• CAS No.: 5395-04-0
• Molecular Formula: C11H20N2O
• Molecular Weight: 196.293
• Hs Code.: 2933399090
• European Community (EC) Number: 226-407-5
• NSC Number: 3145
• UNII: ST5T93T7OJ
• DSSTox Substance ID: DTXSID70202236
• Nikkaji Number: J50.650H
• Wikidata: Q83075509
• ChEMBL ID: CHEMBL11960
• Mol file: 5395-04-0.mol

Synonyms:1,1'-Carbonyldipiperidine;5395-04-0;di(piperidin-1-yl)methanone;Bis(pentamethylene)urea;N,N'-Carbonylbis(piperidine);Piperidine, 1,1'-carbonylbis-;PIPERIDINE, 1,1'-CARBONYLDI-;N,N,N',N'-Bispentamethyleneurea;Bis(1-piperidyl) ketone;NSC 3145;N,N,N',N'-Bispentamethylene urea;dipiperidin-1-ylmethanone;EINECS 226-407-5;BRN 0144183;ST5T93T7OJ;N,N,N',N'-Bis(cyclopentamethylene)urea;AI3-17308;C11H20N2O;NSC-3145;5-20-02-00486 (Beilstein Handbook Reference);piperidinoketone;Methanone, di-1-piperidinyl-;NSC3145;Dipiperidino ketone;GOY;Piperidine,1'-carbonyldi-;UNII-ST5T93T7OJ;Piperidine,1'-carbonylbis-;Bis(piperidin-1-yl)methanone;CHEMBL11960;SCHEMBL446167;1,1-CARBONYLDIPIPERIDINE;N,N',N'-Bispentamethylene urea;DI-1-PIPERIDINYLMETHANONE;SNOJOKOVTYPHMC-UHFFFAOYSA-;WLN: T6NTJ AV- AT6NTJ;DTXSID70202236;1,1'-Carbonyldipiperidine, 97%;MFCD00006482;AKOS015913686;1-(1-Piperidinylcarbonyl)piperidine #;SB41534;LS-114468;FT-0635660;A914713;J-503728

Chemical Property of 1,1'-Carbonyldipiperidine

Chemical Property:

• Vapor Pressure: 0.00139mmHg at 25°C
• Melting Point: 44-47 °C(lit.)
• Refractive Index: 1.524
• Boiling Point: 297 °C at 760 mmHg
• PKA: -0.35±0.20(Predicted)
• Flash Point: 119.1 °C
• PSA: 23.55000
• Density: 1.076 g/cm³
• LogP: 1.95400
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 196.157563266
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

99.3% ^*data from raw suppliers

1,1''-Carbonyldipiperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCN(CC1)C(=O)N2CCCCC2
• Uses: Reactant for synthesis of:? ;Bis(guanidine) ligands for tuning of copper(I) dioxygen reactivity1? ;Diaminocarbene- and Fischer-carbene complexes of palladium and nickel by oxidative insertion2? ;Neodymium and europium complexes with amides and cyclic aminoxides3? ;Bis(pentamethylene)urea complexes of lanthanide nitrates4? ;Europium complexes for luminescence studies5? ;Tetra(amino)methanes6 1,1''-Carbonyldipiperidine is a urea.

Technology Process of 1,1'-Carbonyldipiperidine

There total 28 articles about 1,1'-Carbonyldipiperidine 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: 100.0%

piperidine (110-89-4) + carbon monoxide (201230-82-2) → 1,1'-carbonyldipiperidine (5395-04-0)

Guidance literature:

piperidine; carbon monoxide; With selenium; at 20 ℃; for 2h; under 750.075 Torr; neat (no solvent);

With oxygen; at 20 ℃; for 1h; under 750.075 Torr; neat (no solvent);

DOI:10.1055/s-0030-1258299

Reference yield: 100.0%

1,1'-selenocarbonyl-bis-piperidine (18938-31-3) → 1,1'-carbonyldipiperidine (5395-04-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; for 3h;

DOI:10.1246/bcsj.69.2235

Reference yield: 90.0%

carbon monoxide (201230-82-2) + piperidine hydrochloride (6091-44-7) → 1,1'-carbonyldipiperidine (5395-04-0)

Guidance literature:

With sodium carbonate; In toluene; at 60 ℃; Autoclave;

DOI:10.1002/anie.201914089

upstream raw materials:

piperidine

phosgene

piperidine carbamoyl chloride

trimethoxyacetonitrile

Downstream raw materials:

piperidine

methanol

indole

Cyclohexyl-(di-piperidin-1-yl-methylene)-amine

Refernces

• 1、 Cao, Yanwei,Yang, Jian-Gong,Deng, Yi,Wang, Shengchun,Liu, Qi,Shen, Chaoren,Lu, Wei,Che, Chi-Ming,Chen, Yong,He, Lin. "Amine-Responsive Disassembly of AuI–CuI Double Salts for Oxidative Carbonylation". supporting information. p. 2080 - 2084. Retrieved 2019/12/24.
• 2、 Liu, Shujuan,Dai, Xingchao,Wang, Hongli,Shi, Feng. "Organic ligand and solvent free oxidative carbonylation of amine over Pd/TiO2 with unprecedented activity". supporting information. p. 4040 - 4045. Retrieved 2019/08/07.