Diethylenetriaminepentaacetic acid

Base Information

• Chemical Name: Diethylenetriaminepentaacetic acid
• CAS No.: 67-43-6
• Deprecated CAS: 13407-13-1,25737-54-6,49758-21-6,6889-50-5,7575-40-8,84932-15-0,573987-64-1,782415-12-7,803683-39-8,25737-54-6,49758-21-6,573987-64-1,6889-50-5,7575-40-8,803683-39-8,84932-15-0
• Molecular Formula: C14H23N3O10
• Molecular Weight: 393.351
• Hs Code.: 29224995
• European Community (EC) Number: 200-652-8
• NSC Number: 759314,7340
• UNII: 7A314HQM0I
• DSSTox Substance ID: DTXSID2023434
• Nikkaji Number: J479.816C,J2.813D
• Wikipedia: Pentetic_acid
• Wikidata: Q416487
• NCI Thesaurus Code: C460
• RXCUI: 3690
• Pharos Ligand ID: G712ZW2FQWCX
• Metabolomics Workbench ID: 55202
• ChEMBL ID: CHEMBL780
• Mol file: 67-43-6.mol

Synonyms:(Carboxymethylimino)bis(ethylenenitrilo)tetraacetic acid;DTPA;N,N-Bis(2-(bis-(carboxymethyl)amino)ethyl)-glycine;Pentetic acid;

Chemical Property of Diethylenetriaminepentaacetic acid

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 4.77E-25mmHg at 25°C
• Melting Point: 219-220 °C(lit.)
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 721.1 °C at 760 mmHg
• PKA: pK1:;pK2:2.55(+1);pK3:4.33(+2);pK4:8.60(-3);pK5,10.58 (25°C)
• Flash Point: 389.9 °C
• PSA: 196.22000
• Density: 1.545 g/cm³
• LogP: -2.68460
• Storage Temp.: -20°C
• Solubility.: 0.1 M NaOH: 0.1 M at 20 °C, clear, colorle
• Water Solubility.: 5 g/L (20 ºC)
• XLogP3: -8.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 16
• Exact Mass: 393.13834394
• Heavy Atom Count: 27
• Complexity: 481

Purity/Quality:

99% ^*data from raw suppliers

Pentetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, N
• Hazard Codes: Xi,N,Xn
• Statements: 36-51/53-36/37/38-20-63
• Safety Statements: 26-36-61-37/39-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Uses -> Chelating Agents
• Canonical SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
• Recent ClinicalTrials: Primary and Booster Vaccination Study With Pneumococcal Vaccine GSK1024850A in Healthy Japanese Children
• Recent EU Clinical Trials: A non-randomized, open label, multi-country, cohort study to describe the safety of study participants who received RSVPreF3 maternal vaccination (any dose) or controls from previous RSV MAT studies (RSV MAT-001, RSV MAT-004, RSV MAT-010, RSV MAT-011, RSV MAT-009, RSV MAT-012 and RSV MAT-039) during any pregnancy conceived post vaccination/control.
• Uses: Diethylenetriaminepentaacetic acid is used as chelating agent and forms complexes with metal ions. It finds application as a magnetic resonance imaging (MRI) contrasting agent, since it improves the image by forming a complex with a gadolinium ion. It can also be used for treatment of radioactive materials such as plutonium, americium and other actinides. It is an active component of manganese and zinc fertilizers used in agrochemical industry. It acts as a color inhibitor and is used in the production of acrylon. It is also used in soaps as a water softener. chelating agent, diagnostic aid Diethylenetriaminepentaacetic Acid is a component of manganese and zinc fertilizers.

Technology Process of Diethylenetriaminepentaacetic acid

There total 4 articles about Diethylenetriaminepentaacetic 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + sodium cyanide (143-33-9,25596-52-5) + 3-azapentane-1,5-diamine (111-40-0,98824-35-2) → diethylenetriaminopentaacetic acid (67-43-6,84932-15-0)

Guidance literature:

With aqueous alkali;

DOI:10.1038/178322a0

Reference yield:

diethylenetriaminepentaacetic acid, Ga(III)-salt, dianion (119088-94-7) + 2-(HO)-5-(SO3H)C6H3CHNC2H4NHC2H4NHC2H4NCHC6H3-2-(OH)-5-(SO3H) (139701-37-4) → Ga(N(CHC6H3-2-O-5-SO3))CH2NHC2H4NHC2H4NCH(C6H3-2-O-5-SO3) + diethylenetriaminopentaacetic acid (67-43-6,84932-15-0)

Guidance literature:

In water-d2; competition was followed by H-NMR spectroscopy, at 25 ° C;; aq. soln. of known pH evapd. to dryness, residue dissolved in equal amt. of D2O, left until equilibrium was reached (5 weeks);

Reference yield:

diethylenetriaminepentaacetic acid, Ga(III)-salt, dianion (119088-94-7) + (CH3)C(CH2NCHC6H3(SO3)(O))3(6-) → {Ga(saltames)}(3-) + diethylenetriaminopentaacetic acid (67-43-6,84932-15-0)

Guidance literature:

In water-d2; competition reaction followed by H-NMR spectroscopy, at 25 ° C at pH 7.5; aq. soln. of known pH evapd. to dryness in vacuo, residue dissolved in equal volume of D2O, and left until equilibrium left (12 weeks);;

upstream raw materials:

formaldehyd

sodium cyanide

3-azapentane-1,5-diamine

diethylenetriaminepentaacetic acid, Ga(III)-salt, dianion

Downstream raw materials:

{Bis-[2-(bis-benzyloxycarbonylmethyl-amino)-ethyl]-amino}-acetic acid benzyl ester

diethylenetriaminepentaacetic dianhydride

Refernces

• 1、 -. "Imaging of Enzyme Activity". . . Retrieved 2008/06/13.
• 2、 -. "Process for producing an amide compound". . . Retrieved 2008/06/13.