1,4,8,11-Tetramethyl-1,4,8,11-tetraazacyclotetradecane

Base Information

• Chemical Name: 1,4,8,11-Tetramethyl-1,4,8,11-tetraazacyclotetradecane
• CAS No.: 41203-22-9
• Molecular Formula: C14H32 N4
• Molecular Weight: 256.435
• Hs Code.: 2933990090
• European Community (EC) Number: 626-243-8
• DSSTox Substance ID: DTXSID10194126
• Nikkaji Number: J1.653.673C,J1.653.674A,J367.073B
• Wikidata: Q83066882
• Mol file: 41203-22-9.mol

Synonyms:1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane

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

Chemical Property:

• Appearance/Colour: white to slightly yellow low melting crystalline
• Vapor Pressure: 0.000318mmHg at 25°C
• Melting Point: 38-42 °C(lit.)
• Refractive Index: 1.6000 (estimate)
• Boiling Point: >230 °F
• PKA: 8.96±0.20(Predicted)
• Flash Point: 128.2 °C
• PSA: 12.96000
• Density: 0.876 g/cm³
• LogP: 0.25900
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in water.
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 256.26269704
• Heavy Atom Count: 18
• Complexity: 168

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,4,8,11-Tetramethyl-1,4,8,11-tetraazacyclotetradecane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1CCCN(CCN(CCCN(CC1)C)C)C
• Uses: 1,4,8,11-Tetramethyl-1,4,8,11-tetraazacyclotetradecane is used as a macrocyclic chelating agent in coordination chemistry. It is also used as a ligand which bind strongly to a wide range of metal ions and as crown ethers.

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

There total 12 articles about 1,4,8,11-Tetramethyl-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: 98.0%

1,4,8,11-Tetraazacyclotetradecane (295-37-4) + methyl iodide (74-88-4) → 1,4,8,11-tetramethyl-1,4,8,11-tetra-azacyclotetradecane (41203-22-9)

Guidance literature:

With potassium hydroxide; C₁₄H₃₀N₂O₄; In toluene; for 4h; Ambient temperature; Irradiation;

DOI:10.1016/S0040-4039(00)82493-4

Reference yield: 90.0%

1,8-dimethyl-1,4,8,11-tetraazatricyclo[9.3.1.14,8]hexadecane-1,8-diium diiodide → 1,4,8,11-tetramethyl-1,4,8,11-tetra-azacyclotetradecane (41203-22-9)

Guidance literature:

With sodium tetrahydroborate; In ethanol; water; for 4h; Heating;

DOI:10.1002/(sici)1099-0690(199809)1998:9<1971::aid-ejoc1971>3.0.co;2-d

Reference yield:

1,4,8,11-Tetraazacyclotetradecane (295-37-4) → 1,4,8,11-tetramethyl-1,4,8,11-tetra-azacyclotetradecane (41203-22-9)

Guidance literature:

With sodium hydroxide; formaldehyd; formic acid; In water;

upstream raw materials:

1,4,8,11-Tetraazacyclotetradecane

methyl iodide

1,4,8,11-tetraazatricyclo[9.3.1.14,8]hexadecane

1,1,4,7,10,10-hexamethyltriethylenetetramine

Downstream raw materials:

trans-dichloro(1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane-N,N',N'',N''')rhodium(III) tetraphenylborate

cryptand 211

1,1,4,7,10,10-hexamethyltriethylenetetramine

N,N',N''-trimethyl-1,5,9-triazacyclododecane

Refernces

• 1、 Evangelio, Emi,Rath, Nigam P.,Mirica, Liviu M.. "Cycloaddition reactivity studies of first-row transition metal-azide complexes and alkynes: An inorganic click reaction for metalloenzyme inhibitor synthesis". scheme or table. p. 8010 - 8021. Retrieved 2012/08/08.
• 2、 -. "Composition, synthesis and therapeutic applications of polyamines". . . Retrieved 2008/06/13.