1,1'-[1,3-PHENYLENEBIS-(METHYLENE)]-BIS-(1,4,7,10-TETRAAZACYCLODODECANE) OCTAHYDROCHLORIDE

Base Information

• Chemical Name: 1,1'-[1,3-PHENYLENEBIS-(METHYLENE)]-BIS-(1,4,7,10-TETRAAZACYCLODODECANE) OCTAHYDROCHLORIDE
• CAS No.: 133587-10-7
• Molecular Formula: C24H46N8
• Molecular Weight: 446.683
• Mol file: 133587-10-7.mol

Synonyms:1,1'-[1,3-PHENYLENEBIS-(METHYLENE)]-BIS-(1,4,7,10-TETRAAZACYCLODODECANE) OCTAHYDROCHLORIDE;BISCYCLEN META;1,1'-[1,3-Phenylenebis-(methylene)]-bis-(1,4,7,10-tetraazacyclododecane) octahydrochloride (9CI), 95 %

Chemical Property of 1,1'-[1,3-PHENYLENEBIS-(METHYLENE)]-BIS-(1,4,7,10-TETRAAZACYCLODODECANE) OCTAHYDROCHLORIDE

Chemical Property:

• Boiling Point: 624.7±50.0 °C(Predicted)
• PKA: 10.42±0.20(Predicted)
• PSA: 78.66000
• Density: 0.989±0.06 g/cm3(Predicted)
• LogP: 7.12000

Purity/Quality:

98%min ^*data from raw suppliers

1,1'-[1,3-PHENYLENEBIS-(METHYLENE)]-BIS-(1,4,7,10-TETRAAZACYCLODODECANE) OCTAHYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,1'-[1,3-PHENYLENEBIS-(METHYLENE)]-BIS-(1,4,7,10-TETRAAZACYCLODODECANE) OCTAHYDROCHLORIDE

There total 16 articles about 1,1'-[1,3-PHENYLENEBIS-(METHYLENE)]-BIS-(1,4,7,10-TETRAAZACYCLODODECANE) OCTAHYDROCHLORIDE 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%

C28H44N8(2+)*2Br(1-) → 1,1'-<1,3-phenylenebis(methylene)>bis<1,4,7,10-tetraazacyclododecane> (133587-10-7)

Guidance literature:

With hydrazine hydrate; at 120 ℃;

DOI:10.1039/b103995b

Reference yield: 85.0%

1,1'-m-xylylbis<4,7,10-tris(tert-butyloxycarbonyl)-1,4,7,10-tetraazacyclododecane> → 1,1'-<1,3-phenylenebis(methylene)>bis<1,4,7,10-tetraazacyclododecane> (133587-10-7)

Guidance literature:

With hydrogenchloride; at 80 ℃; for 1h;

Reference yield: 68.0%

1,4,7,10-tetraazacyclododecan (294-90-6) + 1,3-bis-(bromomethyl)benzene (626-15-3) → 1,1'-<1,3-phenylenebis(methylene)>bis<1,4,7,10-tetraazacyclododecane> (133587-10-7)

Guidance literature:

With triethylamine; In chloroform; at 20 ℃; for 21h; Inert atmosphere;

DOI:10.1021/acs.inorgchem.8b00539

upstream raw materials:

1,4,7,10-tetraazacyclododecan

1,3-bis-(bromomethyl)benzene

1,4,7-tris(tert-butyloxycarbonyl)-1,4,7,10-tetraazacyclododecane

cis-13-1,4,7,10-tetraazatetracyclo<5.5.2.0^4,140^10,13>tetradecane

Downstream raw materials:

1,3-bis[1-(4,7,10-tris(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane)]-m-xylene

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