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Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate

CAS 122555-91-3C26H50N4O6Chemical Synthesis

Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate (CAS: 122555-91-3) is a macrocyclic compound with the molecular formula C26H50N4O6. This complexing agent, often referred to as DO3A-t-Bu-ester, is primarily utilised in chemical synthesis and serves as a valuable reagent in chelation and complexation chemistry. Its specific structure allows for selective binding of metal ions, making it useful in various research and development applications.

IUPAC
DO3A-t-Bu-ester
Synonyms
DO3A-t-Bu-ester1,4,7-Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate
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Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate (C26H50N4O6) — chemical structure, CAS 122555-91-3; Chemistry, fine chemical supplied by Tech Serve Solutions
Chemical SynthesisCrown EthersSynthetic Reagents
01 /Applications

Chelation and Complexation Chemistry

This compound is employed as a ligand for metal ions, forming stable complexes. Its macrocyclic structure is particularly adept at encapsulating specific metal cations, finding use in analytical chemistry and the development of contrast agents.

Chemical Synthesis Reagent

As a synthetic reagent, Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate can be used in the preparation of more complex molecules. It is valuable in organic synthesis where precise control over metal ion coordination is required.

Research and Development

Its unique properties make it a subject of study in various research fields, including coordination chemistry and materials science, aiding in the exploration of new chemical entities and applications.

02 /Properties
Molecular weight514.70
Empirical formulaC26H50N4O6
Assay≥97.0% (CHN)
Impurities tested≤4% water
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H335May cause respiratory irritation

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P305IF IN EYES
Protective equipmentdust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK, DE)3
Hazard codes (EU)Xi
Risk statements (R)36/37/38
Safety statements (S)26

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
122555-91-3
MDL number
MFCD05865261
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate used for?

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This compound is primarily used in chelation and complexation chemistry, and as a reagent in chemical synthesis for research and development purposes.

What are the CAS number and formula for this chemical?

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The CAS number is 122555-91-3 and the molecular formula is C26H50N4O6.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies this product with an assay of ≥97.0% (CHN) and a water content of ≤4%. We do not represent this product as USP, BP, or EP grade.

What are the primary safety hazards associated with this chemical?

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This compound is classified with a Warning signal word and carries hazard statements H315 (causes skin irritation), H319 (causes serious eye irritation), and H335 (may cause respiratory irritation). Appropriate personal protective equipment, including a dust mask (type N95), eyeshields, and gloves, should be used during handling.

How is this chemical packed and shipped?

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This chemical is carefully packed to maintain its integrity during transit and is exported globally by Tech Serve Solutions in compliance with international shipping regulations.

How can I request a sample or quote for this product?

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Please contact our sales department through the website or by phone to request a sample or a quotation for Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate.

Need Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate in a specific grade or volume?