1,7-Dibenzyl-1,4,7,10-tetraazacyclododecane

Base Information

• Chemical Name: 1,7-Dibenzyl-1,4,7,10-tetraazacyclododecane
• CAS No.: 156970-79-5
• Molecular Formula: C₂₂H₃₂N₄
• Molecular Weight: 352.523
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30455988
• Nikkaji Number: J2.103.617J
• Wikidata: Q82278175
• Mol file: 156970-79-5.mol

Synonyms:1,7-DIBENZYL-1,4,7,10-TETRAAZACYCLODODECANE;156970-79-5;1,7-dibenzyl-1,4,7,10-tetrazacyclododecane;1,4,7,10-Tetraazacyclododecane, 1,7-bis(phenylmethyl)-;SCHEMBL152631;DTXSID30455988;MFCD09263309;1,7-Dibenzyl-1,4,7,10tetraaza-cyclododecane;1,7-Dibenzyl-1,4,7,10-tetraazacyclododecane, AldrichCPR

Chemical Property of 1,7-Dibenzyl-1,4,7,10-tetraazacyclododecane

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.547
• Boiling Point: 494.563 °C at 760 mmHg
• Flash Point: 262.222 °C
• PSA: 30.54000
• Density: 1.026 g/cm³
• LogP: 2.71700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Hygroscopic
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 352.26269704
• Heavy Atom Count: 26
• Complexity: 304

Purity/Quality:

99% ^*data from raw suppliers

1,7-Dibenzyl-1,4,7,10-tetraazacyclododecane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCNCCN(CCN1)CC2=CC=CC=C2)CC3=CC=CC=C3

Technology Process of 1,7-Dibenzyl-1,4,7,10-tetraazacyclododecane

There total 16 articles about 1,7-Dibenzyl-1,4,7,10-tetraazacyclododecane 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%

4a,8a-dibenzyldecahydro-2a,4a,6a,8a-tetraazacyclopenta[fg]acenaphthylen-4a,8a-ium dibromide → 1,7-bisbenzyl-1,4,7,10-tetraazacyclododecane (156970-79-5)

Guidance literature:

With sodium hydroxide; In water; at 100 ℃; for 72h;

DOI:10.1002/chem.201604390

Reference yield: 78.0%

benzaldehyde (100-52-7) + 1,4,7,10-tetraazacyclododecan (294-90-6) → 1,7-bisbenzyl-1,4,7,10-tetraazacyclododecane (156970-79-5)

Guidance literature:

With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; at 20 ℃;

DOI:10.1039/b612293k

Reference yield: 56.0%

C22H28N4O2 (1422248-30-3) → 1,7-bisbenzyl-1,4,7,10-tetraazacyclododecane (156970-79-5)

Guidance literature:

C₂₂H₂₈N₄O₂; With diisobutylaluminium hydride; In tetrahydrofuran; at 20 ℃; for 24h;

With sodium fluoride; In tetrahydrofuran; water; benzene; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ic302511e

upstream raw materials:

benzyl bromide

benzaldehyde

1,4,7,10-tetraazacyclododecan

cyclen-glyoxal

Refernces

• 1、 Gardinier,Bernard,Chuburu,Roignant,Yaouanc,Handel. "N1,N7-Dialkylation of cyclenphosphine oxide hydrate". . p. 2157 - 2158. Retrieved 1996.
• 2、 Oukhatar, Fatima,Beyler, Maryline,Tripier, Rapha?l. "Straightforward and mild deprotection methods of N-mono- and N1,N7-functionalised bisaminal cyclens". . p. 3857 - 3862. Retrieved 2015/06/02.