Baeta

Base Information

• Chemical Name: Baeta
• CAS No.: 923-73-9
• Molecular Formula: C12H20 N2 O9
• Molecular Weight: 336.299
• Hs Code.: 2922509090
• European Community (EC) Number: 213-099-2
• DSSTox Substance ID: DTXSID70238959
• Nikkaji Number: J55.323I
• Wikidata: Q83121298
• Mol file: 923-73-9.mol

Synonyms:2,2'-bis(aminoethyl)ether-N,N,N',N'-tetraacetic acid;BAETA;BAETA, tetrasodium salt

Chemical Property of Baeta

Chemical Property:

• Boiling Point: 657.2°Cat760mmHg
• Flash Point: 351.2°C
• PSA: 164.91000
• Density: 1.488g/cm³
• LogP: -2.05460
• Solubility.: DMSO; Water; Dichloromethane
• XLogP3: -6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 14
• Exact Mass: 336.11688022
• Heavy Atom Count: 23
• Complexity: 357

Purity/Quality:

98%Min ^*data from raw suppliers

Bis(2-aminoethyl)EtherN,N,N’,N’-TetraaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(COCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

Technology Process of Baeta

There total 4 articles about Baeta 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: 98.0%

C20H36N2O9 → tetraacetate (923-73-9)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 20h;

DOI:10.1016/j.jorganchem.2016.06.030

Reference yield: 94.0%

tetra-tert-butyl 2,2'-oxybis(ethylamine)-N,N,N',N'-tetraacetate (1392307-82-2) → tetraacetate (923-73-9)

Guidance literature:

In trifluoroacetic acid; at 20 ℃;

DOI:10.1002/chem.201200265

Reference yield:

2,2'-diaminodiethyl ether (2752-17-2) + chloroacetic acid (79-11-8) → tetraacetate (923-73-9)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

2,2'-diaminodiethyl ether

chloroacetic acid

tetra-tert-butyl 2,2'-oxybis(ethylamine)-N,N,N',N'-tetraacetate

Refernces

• 1、 Baranyai, Zsolt,Botta, Mauro,Fekete, Marianna,Giovenzana, Giovanni B.,Negri, Roberto,Tei, Lorenzo,Platas-Iglesias, Carlos. "Lower ligand denticity leading to improved thermodynamic and kinetic stability of the Gd3+ complex: The strange case of OBETA". experimental part. p. 7680 - 7685. Retrieved 2012/09/25.