Cyclen tetrahydrochloride → 1,4,7,10-Tetraazacyclododecane

HRID 840340Notes

Reaction equation

HRID 840340 reaction equation
[CH2:1]1[NH:12][CH2:11][CH2:10][NH:9][CH2:8][CH2:7][NH:6][CH2:5][CH2:4][NH:3][CH2:2]1.Cl.Cl.Cl.Cl.C1N2C(=O)N3C4N5C(=O)N(CN6C(N7CN8C(N9CN%10C(N%11CN%12C(N%13CN%14C(N%15CN%16C(N%17CN%18C(N(C5)C5N(C3)C(=O)N(C5%18)CN3C(=O)N(C%16C3%17)CN3C(=O)N(C%14C3%15)CN3C(=O)N(C%12C3%13)CN3C(=O)N(C%10C3%11)CN3C(=O)N(C8C39)CN3C(=O)N1C6C37)=O)=O)=O)=O)=O)=O)=O)C42>O>[NH:3]1[CH2:4][CH2:5][NH:6][CH2:7][CH2:8][NH:9][CH2:10][CH2:11][NH:12][CH2:1][CH2:2]1

Participants

4

Reactant 2

HCID 11652630Cyclen tetrahydrochlorideHCID 16133299Cucurbit[8]uril

Product 1

HCID 649631,4,7,10-Tetraazacyclododecane

Reagents, catalysts & solvents 1

HCID 962WaterSolvent

Procedure

120.0 mg of cyclen tetrahydrochloride (1,4,7,10-tetraazacyclodecane tetrahydrochloride) and 100.0 mg of cucurbit[8]uril were dissolved in water. Heating followed by slow cooling of the solution produced an inclusion complex in which a cyclen molecule was encapsulated in the cavity of cucurbit[8]uril as a colorless crystalline material.

Workup

  1. temperatureHeating
  2. temperatureby slow cooling of the solution

Sources & evidence

ORD record
ord-7f78568b84534f1baa8ca857f59ccb5d
Source dataset
uspto-grants-2002_04
Patent number
US06365734B1

Reaction notes

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