1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane

Base Information

• Chemical Name: 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane
• CAS No.: 71089-74-2
• Molecular Formula: C38H48N4O8S4
• Molecular Weight: 817.085
• European Community (EC) Number: 615-249-6
• DSSTox Substance ID: DTXSID80389067
• Wikidata: Q72507355
• Mol file: 71089-74-2.mol

Synonyms:1,4,8,11-TETRATOSYL-1,4,8,11-TETRAAZACYCLOTETRADECANE;71089-74-2;1,4,8,11-tetrakis-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane;CDS1_002514;ChemDiv1_018770;DivK1c_003554;SCHEMBL3110096;HMS640F04;DTXSID80389067;1,4,8,11-Tetrakis-(toluene-4-sulfonyl)-1,4,8,11tetraaza-cyclotetradecane;AKOS001586639;PLERIXAFOR IMPURITY 3 (SM-1D);1,4,8,11-TETRAKIS-(TOLUENE-4-SULFONYL)-1,4,8,11-TETRAAZA-CYCLOTETRADECANE

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

Chemical Property:

• Vapor Pressure: 1.42E-34mmHg at 25°C
• Refractive Index: 1.6
• Boiling Point: 916.9 °C at 760 mmHg
• Flash Point: 508.3 °C
• PSA: 183.04000
• Density: 1.303g/cm³
• LogP: 8.85220
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 816.23549920
• Heavy Atom Count: 54
• Complexity: 1360

Purity/Quality:

NLT 98% ^*data from raw suppliers

1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C

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

There total 12 articles about 1,4,8,11-Tetratosyl-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: 85.0%

1,2-bis-tosyloxyethane (6315-52-2) + N,N',N'',N'''-tetratosyl-1,10-diamino-4,7-diazadecane (74676-47-4) → 1,4,8,11-tetrakis(p-toluenesulphonyl)-1,4,8,11-tetraazacyclotetradecane (71089-74-2)

Guidance literature:

With sodium hydroxide; tetra-(n-butyl)ammonium iodide; In water; toluene; for 9h; Heating;

Reference yield: 78.3%

1,4,8,11-Tetrakis(toluene-p-sulphonyl)-1,4,8,11-tetraazaundecane (111514-29-5) + 1,3-dibromo-propane (109-64-8) → 1,4,8,11-tetrakis(p-toluenesulphonyl)-1,4,8,11-tetraazacyclotetradecane (71089-74-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 8h;

Reference yield: 65.0%

1,4,8,11-Tetrakis(toluene-p-sulphonyl)-1,4,8,11-tetraazaundecane (111514-29-5) + propane-1,3-diol ditosylate (5469-66-9) → 1,4,8,11-tetrakis(p-toluenesulphonyl)-1,4,8,11-tetraazacyclotetradecane (71089-74-2)

Guidance literature:

In N,N-dimethyl-formamide;

DOI:10.1007/BF00959385

upstream raw materials:

1,2-bis-tosyloxyethane

N,N',N'',N'''-tetratosyl-1,10-diamino-4,7-diazadecane

1,4,8,11-Tetrakis(toluene-p-sulphonyl)-1,4,8,11-tetraazaundecane

propane-1,3-diol ditosylate

Downstream raw materials:

1,4,8,11-Tetraazacyclotetradecane

Refernces

• 1、 -. "Sulfur-containing small-molecule compound and application thereof". Paragraph 0014. . Retrieved 2019/09/14.
• 2、 Rubio, Mercedes,Astorga, Covadonga,Alfonso, Ignacio,Rebolledo, Francisca,Gotor, Vicente. "Chemoenzymatic syntheses of polyamines and tetraazamacrocycles". . p. 2441 - 2452. Retrieved 2007/10/03.