1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAYL-TETRAKIS(METHYLPHOSPHONIC ACID)

Base Information

• Chemical Name: 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAYL-TETRAKIS(METHYLPHOSPHONIC ACID)
• CAS No.: 91987-74-5
• Molecular Formula: C12H32 N4 O12 P4
• Molecular Weight: 548.3
• Hs Code.: 2933990090
• European Community (EC) Number: 635-497-9
• NSC Number: 681106
• UNII: 65F5KPT4JK
• DSSTox Substance ID: DTXSID50919416
• Nikkaji Number: J753.315B
• Wikidata: Q27263874
• NCI Thesaurus Code: C1496
• ChEMBL ID: CHEMBL1977086
• Mol file: 91987-74-5.mol

Synonyms:Phosphonicacid, [1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayltetrakis(methylene)]tetrakis-(9CI); 1,4,7,10-Tetraazacyclododecane, phosphonic acid deriv.;1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrakis(methylenephosphonic acid);1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetramethylenephosphonic acid;1,4,7,10-Tetraazacyclododecane-N,N',N'',N'''-tetramethylenephosphonic acid;DOTMP; DOTP;N,N',N'',N'''-Tetrakis(phosphonomethyl)-1,4,7,10-tetraazacyclododecane; NSC681106

Chemical Property of 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAYL-TETRAKIS(METHYLPHOSPHONIC ACID)

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 280℃ (DEC.)
• Boiling Point: 921.6°Cat760mmHg
• Flash Point: 511.2°C
• PSA: 282.32000
• Density: 1.622g/cm³
• LogP: -2.49960
• Storage Temp.: 2-8°C
• XLogP3: -15.9
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 8
• Exact Mass: 548.09672046
• Heavy Atom Count: 32
• Complexity: 634

Purity/Quality:

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

DOTP ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN(CCN(CCN1CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
• Uses: DOTP could be a useful cancer diagnostic imaging agent.

Technology Process of 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAYL-TETRAKIS(METHYLPHOSPHONIC ACID)

There total 6 articles about 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAYL-TETRAKIS(METHYLPHOSPHONIC ACID) 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: 64.8%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,4,7,10-tetraazacyclododecan (294-90-6) → 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrakis(methylene phosphonic acid) (91987-74-5)

Guidance literature:

With hydrogenchloride; phosphonic Acid; In water; at 110 ℃; for 2.5h;

DOI:10.1007/BF00947832

Reference yield: 54.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,4,7,10-tetraazacyclododecane tetrahydrochloride (10045-25-7) → 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrakis(methylene phosphonic acid) (91987-74-5)

Guidance literature:

With hydrogenchloride; phosphonic Acid; In water; for 1h; Heating;

Reference yield:

1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetraazacyclododecane (60239-18-1) → 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrakis(methylene phosphonic acid) (91987-74-5)

Guidance literature:

With phosphorus(III) oxide; trifluorormethanesulfonic acid; at 60 ℃; for 3h;

upstream raw materials:

formaldehyd

1,4,7,10-tetraazacyclododecane tetrahydrochloride

1,4,7,10-tetraazacyclododecan

[Eu(1,4,7,10-tetraazocyclododecane-1,4,7,10-tetrakis(methylphosphonic acid(-8H)))]^(5-)

Downstream raw materials:

[Gd(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetra(methylphosphonate))]5^-

Refernces

• 1、 Sherry, A. Dean,Malloy, Craig R.,Jeffrey, F. Mark H.,Cacheris, William P.,Geraldes, Carlos F. G. C.. "Dy(DOTP)5-: A New, Stable 23Na Shift Reagent". . p. 528 - 533. Retrieved 1988.
• 2、 Delgado, Rita,Siegfried, Liselotte C.,Kaden, Thomas A.. "14. Metal Complexes with Macrocyclic Ligands. Part XXXI. Protonation Studies and Complexation Properties of Tetraazamacrocyclic Methylenephosphonates with Earth-Alkali Ions". . p. 140 - 148. Retrieved 1990.
• 3、 Swinkels, Dorine W.,Duynhoven, John P. M. van,Hilbers, Cornelis W.,Tesser, Godefridus I.. "Improved synthesis and application of lanthanide 1,4,7,10-tetrakis(phosphonomethyl)-1,4,7,10-tetraazacyclododecane complexes Ln(DOTP)". . p. 124 - 128. Retrieved 2007/10/02.