1-Benzyl-1,4,8,11-tetraazacyclotetradecane

Base Information

• Chemical Name: 1-Benzyl-1,4,8,11-tetraazacyclotetradecane
• CAS No.: 132723-93-4
• Molecular Formula: C17H30N4
• Molecular Weight: 290.452
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60448186
• Nikkaji Number: J1.649.476C
• Wikidata: Q72443029
• Mol file: 132723-93-4.mol

Synonyms:1-BENZYL-1,4,8,11-TETRAAZACYCLOTETRADECANE;132723-93-4;1-benzyl-1,4,8,11-tetrazacyclotetradecane;1,4,8,11-Tetraazacyclotetradecane, 1-(phenylmethyl)-;N-BENZYL-1,4,8,11-TETRAAZACYCLOTETRADECANE;SCHEMBL3994310;DTXSID60448186;MFCD09263311;AKOS025294312;CS-0106226;4-(1,4,8,11-tetraazacyclotetradec-1-yl)-methyl benzole;N-BENZYL-1,4,8,11-TETRAAZACYCLOTETRADECANE,MIN.98%

Chemical Property of 1-Benzyl-1,4,8,11-tetraazacyclotetradecane

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.493
• Boiling Point: 434.3°Cat760mmHg
• Flash Point: 226.4°C
• PSA: 39.33000
• Density: 0.949g/cm³
• LogP: 1.97550
• Sensitive.: Hygroscopic
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 290.24704697
• Heavy Atom Count: 21
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

N-Benzyl-1,4,8,11-tetraazacyclotetradecane, min. 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCNCCCN(CCNC1)CC2=CC=CC=C2

Technology Process of 1-Benzyl-1,4,8,11-tetraazacyclotetradecane

There total 18 articles about 1-Benzyl-1,4,8,11-tetraazacyclotetradecane 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: 92.0%

1-benzyl-4,8,11-tris(tert-butoxycarbonyl)-1,4,8,11-tetraazacyclotetradecane → 1-Benzyl-1,4,8,11-tetraazacyclotetradecane (132723-93-4)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃;

DOI:10.1071/CH01070

Reference yield: 88.0%

1,4,8,11-Tetraazacyclotetradecane (295-37-4) + benzyl bromide (100-39-0) → 1-Benzyl-1,4,8,11-tetraazacyclotetradecane (132723-93-4)

Guidance literature:

With potassium carbonate; In acetonitrile; at 55 - 60 ℃; for 3.5h;

DOI:10.1016/S0040-4039(02)00497-5

Reference yield: 82.0%

cis-3a-benzyl-10b-methyldecahydro-1H,6H-5a,8a,10a-triaza-3a-azoniapyrene bromide → 1-Benzyl-1,4,8,11-tetraazacyclotetradecane (132723-93-4)

Guidance literature:

With sodium hydroxide; for 12h; Heating;

DOI:10.1021/jo050306u

upstream raw materials:

1,4,8,11-Tetraazacyclotetradecane

benzyl bromide

cis-10b-methyldecahydro-3a,5a,8a,10a-tetraazapyrene

1,4,8-tris(tert-butoxycarbonyl)-1,4,8,11-tetraazacyclotetradecane

Downstream raw materials:

Mo(CO)3(C₁₀H₂₃N₄(CH₂C₆H₅))

Co⁽²⁺⁾*(C₃H₆)2(C₂H₄)2N₄H₃CH₂C₆H₅*NO₃^(1-)*PF₆^(1-)=[Co((C₃H₆)2(C₂H₄)2N₄H₃CH₂C₆H₅)(NO₃)]PF₆

Cd⁽²⁺⁾*(C₃H₆)2(C₂H₄)2N₄H₃CH₂C₆H₅*NO₃^(1-)*PF₆^(1-)=[Cd((C₃H₆)2(C₂H₄)2N₄H₃CH₂C₆H₅)(NO₃)]PF₆

[Pb((C₃H₆)2(C₂H₄)2N₄H₃CH₂C₆H₅)(NO₃)2]

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