1,4,7,10-Tetraazacyclododecane-1-acetic acid, 1,1-dimethylethyl ester | CAS No. 137145-75-6

1,4,7,10-Tetraazacyclododecane-1-acetic acid, 1,1-dimethylethyl ester

Basic Information

CAS Number

137145-75-6

Molecular Formula

C14H30N4O2

Molecular Weight

286.41 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)CN1CCNCCNCCNCC1

InChI

InChI=1S/C14H30N4O2/c1-14(2,3)20-13(19)12-18-10-8-16-6-4-15-5-7-17-9-11-18/h15-17H,4-12H2,1-3H3

InChIKey

CSKOCUPUEKOSOU-UHFFFAOYSA-N

LogP

-0.5874999999999961

Topological Polar Surface Area

65.63 Ų

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

267

Synonyms & References

English

  • 1,4,7,10-Tetraazacyclododecane-1-acetic acid, 1,1-dimethylethyl ester
  • tert-butyl 2-(1,4,7,10-tetrazacyclododec-1-yl)acetate
  • 1,1-Dimethylethyl 1,4,7,10-tetraazacyclododecane-1-acetate
  • DTXSID30569832
  • UNII-YS38L5XM4E
  • tert-Butyl (1,4,7,10-tetraazacyclododecan-1-yl)acetate
  • 1,4,7,10-Tetraazacyclododecane-1-acetic acid,1,1-dimethylethyl ester
  • 1,4,7,10-tetraazacyclododecane-1-acetic acid (1,1dimethylethyl)ester
  • TERT-BUTYL 2-(1,4,7,10-TETRAAZACYCLODODECAN-1-YL)ACETATE
  • CSKOCUPUEKOSOU-UHFFFAOYSA-N
  • G65288
  • YS38L5XM4E
  • 1,4,7,10-tetraazacyclododecane-1-acetic acid (1,1-dimethylethyl) ester
  • SCHEMBL3415840
  • 137145-75-6

MDL Number

MFCD27964380

FAQ

What are the physical and chemical properties of 1,4,7,10-Tetraazacyclododecane-1-acetic acid, 1,1-dimethylethyl ester (CAS: 137145-75-6)?

The compound has a crystalline form and a molecular weight of approximately 314.4 g/mol. It has moderate solubility in common organic solvents. Chemically, it is stable but can react with strong bases. It is a chelating agent and can form coordination complexes with various metal ions.

How is 1,4,7,10-Tetraazacyclododecane-1-acetic acid, 1,1-dimethylethyl ester (CAS: 137145-75-6) typically synthesized?

The compound is typically synthesized through the esterification of 1,4,7,10-tetraazacyclododecane-1-acetic acid with dimethylethyl methyl ester. Commonly used conditions include reflux in the presence of a catalyst like sulfuric acid. The yield is around 85-90%, and the product is isolated by simple extraction and drying.

What industries use 1,4,7,10-Tetraazacyclododecane-1-acetic acid, 1,1-dimethylethyl ester (CAS: 137145-75-6)?

This compound is used in pharmaceuticals for metal ion chelation therapy, in polymers as a stabilizer, and in sensors for metal ion detection. It is also used in the semiconductor industry for surface cleaning and etching processes.

What precautions should be taken when handling 1,4,7,10-Tetraazacyclododecane-1-acetic acid, 1,1-dimethylethyl ester (CAS: 137145-75-6)?

Proper personal protective equipment (PPE) is required, including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be handled carefully using appropriate absorbent materials, and contaminated waste should be disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling instructions.

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