1,4,7,10-Tetramethyl-1,4,7,10-tetraazacyclododecane

Base Information

• Chemical Name: 1,4,7,10-Tetramethyl-1,4,7,10-tetraazacyclododecane
• CAS No.: 76282-33-2
• Molecular Formula: C12H28N4
• Molecular Weight: 228.3775
• DSSTox Substance ID: DTXSID10227165
• Nikkaji Number: J667.290F
• Wikidata: Q83106838
• Mol file: 76282-33-2.mol

Synonyms:1,4,7,10-tetramethyl-1,4,7,10-tetraazacyclododecane

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

Chemical Property:

• Vapor Pressure: 0.00354mmHg at 25°C
• Boiling Point: 281.6°C at 760 mmHg
• PKA: 8.61±0.20(Predicted)
• Flash Point: 109.1°C
• PSA: 12.96000
• Density: 0.888g/cm³
• LogP: -0.52120
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 228.23139691
• Heavy Atom Count: 16
• Complexity: 130

Purity/Quality:

99%min ^*data from raw suppliers

1,4,7,10-TETRAMETHYL-1,4,7,10-TETRAAZA CYCLODODECANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CCN(CCN(CC1)C)C)C

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

There total 3 articles about 1,4,7,10-Tetramethyl-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: 55.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,4,7,10-tetraazacyclododecan (294-90-6) → 1,4,7,10-tetramethyl-1,4,7,10-tetraaminocyclododecane (76282-33-2)

Guidance literature:

With formic acid; In water; for 30h; under 760 Torr; Heating;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,4,7,10-tetramethylsulfonyl-1,4,7,10-tetraazacyclododecane → 1,4,7,10-tetramethyl-1,4,7,10-tetraaminocyclododecane (76282-33-2)

Guidance literature:

1,4,7,10-tetramethylsulfonyl-1,4,7,10-tetraazacyclododecane; With sulfuric acid; sodium hydroxide; In water; at 180 ℃; for 10h;

formaldehyd; With formic acid; In water; at 90 ℃; for 14h;

Reference yield:

triethylentetramine (112-24-3) → 1,4,7,10-tetramethyl-1,4,7,10-tetraaminocyclododecane (76282-33-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: pyridine / 15 h / 0 - 20 °C

2.1: sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; 15-crown-5 / water; toluene / 0.5 h / 90 °C

2.2: 10 h / 90 °C

3.1: sodium hydroxide; sulfuric acid / water / 10 h / 180 °C

3.2: 14 h / 90 °C

With pyridine; 15-crown-5; sulfuric acid; N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In water; toluene;

upstream raw materials:

formaldehyd

1,4,7,10-tetraazacyclododecan

triethylentetramine

Refernces

• 1、 -. "A method for preparing nitrogen heterocyclic". Paragraph 0019; 0022. . Retrieved 2017/02/24.