1,1',1''-(Benzene-1,3,5-triyl)tripyrrolidine

Base Information

• Chemical Name: 1,1',1''-(Benzene-1,3,5-triyl)tripyrrolidine
• CAS No.: 16857-93-5
• Molecular Formula: C18H27N3
• Molecular Weight: 285.432
• DSSTox Substance ID: DTXSID50527313
• Nikkaji Number: J379.552G
• Wikidata: Q82396497
• Mol file: 16857-93-5.mol

Synonyms:16857-93-5;DTXSID50527313;1,1',1''-(Benzene-1,3,5-triyl)tripyrrolidine

Chemical Property of 1,1',1''-(Benzene-1,3,5-triyl)tripyrrolidine

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 285.220497874
• Heavy Atom Count: 21
• Complexity: 263

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=CC(=CC(=C2)N3CCCC3)N4CCCC4

Technology Process of 1,1',1''-(Benzene-1,3,5-triyl)tripyrrolidine

There total 10 articles about 1,1',1''-(Benzene-1,3,5-triyl)tripyrrolidine 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: 50.0%

pyrrolidine (123-75-1) + 1,3,5-trichlorobenzene (108-70-3,63697-19-8) → 1,3,5-tris(N-pyrrolidinyl)benzene (16857-93-5) + N-(3,5-dichlorophenyl)tetrahydropyrrole (99660-44-3) + C14H19ClN2

Guidance literature:

With styrene; tert-Amyl alcohol; sodium hydride; [2,2]bipyridinyl; nickel diacetate; In tetrahydrofuran; for 0.25h; Heating;

DOI:10.1016/S0040-4020(01)00730-X

Reference yield: 49.0%

1-Brom-2,4,6-tris(1-pyrrolidinyl)cyclohexadienylium-bromid (70746-80-4) → 1,3,5-tris(N-pyrrolidinyl)benzene (16857-93-5)

Guidance literature:

With sodium sulfide; In methanol; for 0.166667h;

Reference yield: 7.5%

1-Iod-2,4,6-tris(1-pyrrolidinyl)cyclohexadienylium-perchlorat (122408-37-1) → 1,3,5-tris(N-pyrrolidinyl)benzene (16857-93-5) + 2,2',4,4',6,6'-hexapyrrolidin-1-yl-1,1'-bicyclohexadienylium diperchlorate (29531-65-5)

Guidance literature:

With sodium methylate; In methanol; at -40 ℃; for 0.5h;

upstream raw materials:

1-Brom-2,4,6-tris(1-pyrrolidinyl)cyclohexadienylium-bromid

C₁₉H₂₇N₄S⁽¹⁺⁾*CNS^(1-)

1-Iod-2,4,6-tris(1-pyrrolidinyl)cyclohexadienylium-perchlorat

pyrrolidine

Downstream raw materials:

ethyl 2,4,6-tripyrrolidin-1-ylbenzyl ether

2,4,6-Tripyrrolidino-2'-cyano-4'-nitrobiphenyl

2,4,6-Tripyrrolidino-2'-(methoxycarbonyl)-4'-nitrobiphenyl

3,5-(dipyrrolidine-1-yl)phenol

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