1,4,7-Trimethyl-1,4,7-triazacyclononane

Base Information

• Chemical Name: 1,4,7-Trimethyl-1,4,7-triazacyclononane
• CAS No.: 96556-05-7
• Molecular Formula: C9H21N3
• Molecular Weight: 171.286
• Hs Code.: 2933990090
• European Community (EC) Number: 619-228-2
• UNII: R7BZK76RTP
• DSSTox Substance ID: DTXSID80338151
• Nikkaji Number: J351.554K
• Wikipedia: 1,4,7-Trimethyl-1,4,7-triazacyclononane
• Wikidata: Q55698500
• Mol file: 96556-05-7.mol

Synonyms:1,4,7-trimethyl-1,4,7-triazacyclononane;Me3TACN;TMTACN

Chemical Property of 1,4,7-Trimethyl-1,4,7-triazacyclononane

Chemical Property:

• Appearance/Colour: Dark brown transparent liquid
• Vapor Pressure: 0.221mmHg at 25°C
• Refractive Index: n20/D 1.473(lit.)
• Boiling Point: 207.8 °C at 760 mmHg
• PKA: 8.69±0.20(Predicted)
• Flash Point: 68.3 °C
• PSA: 9.72000
• Density: 0.888 g/cm³
• LogP: -0.39090
• Storage Temp.: 2-8°C
• Sensitive.: moisture sensitive
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 171.173547683
• Heavy Atom Count: 12
• Complexity: 91.2

Purity/Quality:

99.9% ^*data from raw suppliers

1,4,7-Trimethyl-1,4,7-triazacyclononane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CCN(CC1)C)C
• Uses: Useful ligand for preparing transition metal complexes.

Technology Process of 1,4,7-Trimethyl-1,4,7-triazacyclononane

There total 8 articles about 1,4,7-Trimethyl-1,4,7-triazacyclononane 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: 75.0%

N,N',N-tris(p-toluenesulfonyl)-1,4,7-triazacyclononane (52667-89-7) → N,N',N''-trimethyl-1,4,7-triazacyclononane (96556-05-7)

Guidance literature:

N,N',N-tris(p-toluenesulfonyl)-1,4,7-triazacyclononane; With hydrogenchloride; water; at 140 ℃; for 6h;

With sodium hydroxide; formaldehyd; formic acid; In water; at 0 - 90 ℃; Further stages.;

DOI:10.1039/b617722k

Reference yield: 75.0%

methyl bromide (74-83-9) + 1,4,7-triazacyclononane (4730-54-5) → N,N',N''-trimethyl-1,4,7-triazacyclononane (96556-05-7)

Guidance literature:

With potassium carbonate; In acetonitrile; for 16h; Reflux;

DOI:10.1002/chem.201304593

Reference yield: 25.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N',N-tris(p-toluenesulfonyl)-1,4,7-triazacyclononane (52667-89-7) → N,N',N''-trimethyl-1,4,7-triazacyclononane (96556-05-7)

Guidance literature:

N,N',N-tris(p-toluenesulfonyl)-1,4,7-triazacyclononane; With sulfuric acid; In water; at 140 ℃; for 6h;

With sodium hydroxide; In water; Cooling with ice;

formaldehyd; With formic acid; In water; at 90 ℃;

upstream raw materials:

1,4,7-triazacyclononane

methyl iodide

N,N',N-tris(p-toluenesulfonyl)-1,4,7-triazacyclononane

formaldehyd

Downstream raw materials:

Ti(N-3,4,5-C₆H₂(OMe)3)(1,4,7-trimethyltriazacyclononane)Cl₂

1,4,8,11-tetramethyl-1,4,8,11-tetra-azacyclotetradecane

[(1,4,7-trimethyl-1,4,7-triazacyclononane)2Zn2(μ-Br)3]BPh4

[(1,4,7-trimethyl-1,4,7-triazacyclononane)2Zn2(μ-Cl)3]BPh4

Refernces

• 1、 -. "RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE". Paragraph 0102; 0103. . Retrieved 2018/03/07.
• 2、 -. "A paper pulp, fabric bleaching catalyst preparation method of the ligand". Paragraph 0019. . Retrieved 2017/03/17.