Dhpta

Base Information

• Chemical Name: Dhpta
• CAS No.: 3148-72-9
• Deprecated CAS: 53520-87-9,56480-08-1,63968-63-8,56480-08-1,63968-63-8
• Molecular Formula: C11H18 N2 O9
• Molecular Weight: 322.272
• Hs Code.: 2922509090
• European Community (EC) Number: 221-575-6
• NSC Number: 59816
• UNII: 949B9ZMO7M
• DSSTox Substance ID: DTXSID5044653
• Nikkaji Number: J7.686D
• Wikidata: Q27271662
• Metabolomics Workbench ID: 153362
• Mol file: 3148-72-9.mol

Synonyms:3148-72-9;DHPTA;DPTA;Diaminopropanol tetraacetic acid;1,3-Diamino-2-propanol-N,N,N',N'-tetraacetic acid;1,3-Diaminopropanol tetraacetic acid;Diaminohydroxypropanetetraacetic acid;1,3-Diamino-2-hydroxypropane-N,N,N',N'-tetraacetic acid;Diaminohydroxypropane tetraacetic acid;2-Hydroxy-1,3-propylenediaminetetraacetic acid;Diaminopropanol tetra acetic acid;DPTA-OH;Acetic acid, diaminopropanoltetra-;2,2',2'',2'''-((2-Hydroxypropane-1,3-diyl)bis(azanetriyl))tetraacetic acid;EINECS 221-575-6;NSC 59816;((2-Hydroxytrimethylene)diimino)tetraacetic acid;DTA;Diaminopropanol tetraacetic acid (VAN);BRN 1716800;UNII-949B9ZMO7M;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid;949B9ZMO7M;2-(Hydroxytrimethylene)diamine-N,N,N',N',-tetraacetic acid;2-Hydroxytrimethylenediaminetetra(acetic acid);Glycine, N,N'-(2-hydroxy-1,3-propanediyl)bis(N-(carboxymethyl)-;((2-Hydroxytrimethylene)dinitrilo)tetraacetic acid;NSC59816;Acetic acid, (diaminopropanol)tetra-;NSC-59816;Acetic acid, ((2-hydroxytrimethylene)dinitrilo)tetra-;Acetic acid, [(2-hydroxytrimethylene)dinitrilo]tetra-;ACETIC ACID, ((2-HYDROXY-1,3-TRIMETHYLENE)DINITRILO)TETRA-;Glycine, N,N'-(2-hydroxy-1,3-propanediyl)bis[N-(carboxymethyl)-;[(2-Hydroxytrimethylene)diimino]tetraacetic acid;4-04-00-02459 (Beilstein Handbook Reference);2-({3-[bis(carboxymethyl)amino]-2-hydroxypropyl}(carboxymethyl)amino)acetic acid;Acetic acid, [(2-hydroxy-1,3-trimethylene)dinitrilo]tetra-;C11H18N2O9;HAMPRONOL;SCHEMBL370921;DTXSID5044653;Glycine, N,N'-(2-hydroxy-1,3-propanediyl) bis[N-(carboxymethyl)-;MFCD00004288;AKOS025310788;C11-H18-N2-O9;WLN: QV1N1VQ1YQ1&N1VQ1V1Q;DB12362;2-[[3-[bis(carboxymethyl)amino]-2-hydroxy-propyl]-(carboxymethyl)amino]acetic acid;2-OHtrimethylenediaminetetra(acetic acid);AS-73160;Acetic acid,3-trimethylene)dinitrilo]tetra-;1,3-DIAMINOPROPANE-2-OL TETRACETATE;D1330;FT-0634700;2-HYDROXYPROPANEDIAMINETETRAACETIC ACID;D89838;EN300-18532205;1,3-DIAMINO-2-HYDROXYPROPANETETRAACETIC ACID;2-HYDROXY-1,3-DIAMINOPROPANETETRAACETIC ACID;W-109870;Q27271662;2-(Hydroxytrimethylene)diamine-N,N',N',-tetraacetic acid;2-hydroxy-1,3-propanediamine-n,n,n',n'-tetraacetic acid;1,3-DIAMINO-2-PROPANOL-N,N,N\',N\'-TETRAACETIC ACID;Glycine,N'-(2-hydroxy-1,3-propanediyl)bis[N-(carboxymethyl)-;1,3-Diamino-2-hydroxypropane-N,N,N',N'-tetraacetic acid, 99%;2-HYDROXY-1,3-DIAMINOPROPANE-N,N,N',N'-TETRAACETIC ACID;2-HYDROXYPROPYLENE-1,3-DIAMINE-N,N,N',N'-TETRAACETIC ACID;2-HYDROXYPROPYLENE-1,3-DIAMINO-N,N,N',N'-TETRAACETIC ACID;1,3-DIAMINO-2-HYDROXYPROPANE-N,N',N'',N'''-TETRAACETIC ACID;2,2',2'',2'''-(2-hydroxypropane-1,3-diyl)bis(azanetriyl)tetraacetic acid;2-HYDROXY-1,3-TRIMETHYLENEDIAMINE-N,N,N',N'-TETRAACETIC ACID;{3-(Bis-carboxymethyl-amino)-2-hydroxy-propyl-carboxymethyl-amino}-acetic acid;2,2',2'',2'''-((2-Hydroxypropane-1,3-diyl)bis(azanetriyl))tetraaceticacid

Chemical Property of Dhpta

Chemical Property:

• Appearance/Colour: GREEN - BROWN LIQUID
• Melting Point: 194 °C
• Refractive Index: 1.4620 (estimate)
• Boiling Point: 664.4 °C at 760 mmHg
• PKA: 1.39±0.10(Predicted)
• Flash Point: 355.6 °C
• PSA: 175.91000
• Density: 1.603 g/cm³
• LogP: -2.71030
• Solubility.: almost transparency in 1mol/L NaOH
• XLogP3: -6.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 12
• Exact Mass: 322.10123016
• Heavy Atom Count: 22
• Complexity: 356

Purity/Quality:

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

1,3-Diamino-2-propanol-N,N,N',N'-tetraacetic Acid >98.0%(T) ^*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:

• Chemical Classes: Other Uses -> Chelating Agents
• Canonical SMILES: C(C(CN(CC(=O)O)CC(=O)O)O)N(CC(=O)O)CC(=O)O

Technology Process of Dhpta

There total 4 articles about Dhpta 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:

4,4'-(2-hydroxypropane-1,3-diyl)bis(piperazine-2,6-dione) → 1,3-diamino-2-propanol-N,N,N',N'-tetraacetic acid (3148-72-9,63968-63-8)

Guidance literature:

4,4'-(2-hydroxypropane-1,3-diyl)bis(piperazine-2,6-dione); With sodium hydroxide; In water; at 20 ℃; for 24h;

In water; pH=4;

DOI:10.1021/acs.jmedchem.0c02157

Reference yield:

1,3-diamino-2-hydroxypropane dihydrobromide (89322-49-6) + chloroacetic acid (79-11-8) → 1,3-diamino-2-propanol-N,N,N',N'-tetraacetic acid (3148-72-9,63968-63-8)

Guidance literature:

With sodium hydroxide;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + potassium cyanide (151-50-8) + 1,3-diamino-2-hydroxypropane dihydrobromide (89322-49-6) → 1,3-diamino-2-propanol-N,N,N',N'-tetraacetic acid (3148-72-9,63968-63-8)

Guidance literature:

Multistep reaction; (i) aq. HCl, (ii) /BRN= 4652394/, H₂O;

upstream raw materials:

formaldehyd

potassium cyanide

1,3-diamino-2-hydroxypropane dihydrobromide

chloroacetic acid

Downstream raw materials:

N,N,N′,N′-tetrakis(2-benzimidazolylmethyl)-2-hydroxo-1,3-diaminopropane

Refernces