Cas no 247193-74-4 (1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane)

1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane is a protected derivative of the macrocyclic ligand 1,4,7,10-tetraazacyclododecane (cyclen). The introduction of three Boc (tert-butoxycarbonyl) groups provides selective protection for three nitrogen atoms, while the carboxymethyl group at the 10-position allows for further functionalization. This compound is particularly useful in coordination chemistry and radiopharmaceutical applications, where it serves as a precursor for synthesizing bifunctional chelators. The Boc groups enhance solubility and facilitate controlled deprotection, enabling precise modification of the cyclen scaffold. Its stability and versatility make it valuable for developing metal complexes, particularly for diagnostic and therapeutic agents involving lanthanides or other transition metals.
1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane structure
247193-74-4 structure
Product Name:1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane
CAS No:247193-74-4
MF:C25H46N4O8
MW:530.654747486115
MDL:MFCD11226800
CID:851468
PubChem ID:45356713
Update Time:2025-05-19

1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane Chemical and Physical Properties

Names and Identifiers

    • 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 10-(carboxymethyl)-, 1,4,7-tris(1,1-dimethylethyl) ester
    • 1,4,7-TRI-BOC-10-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE
    • 2-[4,7,10-tris[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
    • NULL
    • 10-carboxymethyl-1,4,7,10-tetraaza-cyclododecane-1,4,7-tricarboxylic acid tri-tert-butyl ester
    • 2-{4,7,10-tris[(tert-butoxy)carbonyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid
    • DTXSID70669921
    • [4,7,10-tris(t-butoxy-carbonyl)-1,4,7,10-tetraaza-cyclododecan-1-yl]acetic acid
    • (4,7,10-Tri-Boc-1,4,7,10-tetraazacyclodecan-1-yl)acetic acid
    • 2-(4,7,10-Tris(tert-butoxycarbonyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid
    • [4,7,10-Tris(tert-butoxycarbonyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid
    • 1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane, 98% (TLC)
    • MFCD11226800
    • C25H46N4O8
    • 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 10-(carboxymethyl)-, 1,4,7-tris(1,1-dimethylethyl) ester
    • AS-75002
    • J-015642
    • SCHEMBL5604673
    • AKOS025404025
    • 247193-74-4
    • 1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane
    • MDL： MFCD11226800
    • Inchi： 1S/C25H46N4O8/c1-23(2,3)35-20(32)27-12-10-26(18-19(30)31)11-13-28(21(33)36-24(4,5)6)15-17-29(16-14-27)22(34)37-25(7,8)9/h10-18H2,1-9H3,(H,30,31)
    • InChI Key： NDHHFZCDHYVCTI-UHFFFAOYSA-N
    • SMILES： O(C(C)(C)C)C(N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CCN(CC(=O)O)CC1)=O

Computed Properties

  • Exact Mass: 530.33156444g/mol
  • Monoisotopic Mass: 530.33156444g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 8
  • Complexity: 754
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0
  • Topological Polar Surface Area: 129?2

1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane Security Information

  • Hazard Category Code： 36/37/38
  • Safety Instruction： 26
  • Hazardous Material Identification： Xi

1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane Customs Data

  • HS CODE：29225090

1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM316628-1g
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 247193-74-4 95%
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Chemenu
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SHENG KE LU SI SHENG WU JI SHU
sc-251599-250mg
1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane,
 247193-74-4
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 ￥2211.00 2023-09-05

1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane Suppliers

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(CAS:247193-74-4)1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane
Order Number:A1008818
Stock Status:in Stock
Quantity:250mg/1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 15:08
Price ($):267.0/808.0

1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane Related Literature

Additional information on 1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane

1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane: A Comprehensive Overview

The compound with CAS No. 247193-74-4, known as 1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane, is a highly specialized macrocyclic compound that has garnered significant attention in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which combines a tetraaza macrocycle with strategically placed tert-butoxycarbonyl (Boc) protecting groups and a carboxymethyl substituent. The combination of these features makes it a versatile building block for various applications in drug delivery systems, catalysis, and advanced materials.

Recent studies have highlighted the potential of macrocyclic compounds like this one in the development of self-assembled monolayers (SAMs) and supramolecular polymers. The tetraaza framework provides a rigid yet flexible scaffold that can be functionalized to create materials with tailored properties. For instance, researchers have explored the use of this compound in constructing biocompatible surfaces for medical devices and implants. The presence of the Boc groups allows for precise control over the reactivity and stability of the molecule during synthesis and subsequent applications.

The synthesis of 1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane involves a multi-step process that typically begins with the formation of the tetraaza macrocycle. This is followed by selective protection of the amine groups using tert-butoxycarbonyl (Boc) reagents. The introduction of the carboxymethyl group at the 10th position is achieved through nucleophilic substitution or coupling reactions. The overall synthesis is highly efficient and has been optimized to achieve high yields and purity levels.

One of the most promising applications of this compound lies in its use as a precursor for biodegradable polymers. By incorporating this macrocycle into polymer backbones, researchers have demonstrated enhanced mechanical properties and controlled degradation profiles. These polymers have shown potential in tissue engineering applications, where they can serve as scaffolds for cell growth and differentiation.

In addition to its role in materials science, this compound has also been investigated for its potential in catalytic applications. The tetraaza macrocycle can act as a coordination site for metal ions, enabling the creation of homogeneous catalysts for various organic transformations. Recent studies have focused on its ability to facilitate asymmetric catalysis, which is critical for the production of chiral pharmaceuticals.

The integration of Boc groups into the structure provides an additional layer of functionality. These groups can be selectively removed under mild conditions to expose free amine functionalities. This feature has been exploited in the development of stimuli-responsive materials that can undergo structural changes in response to environmental cues such as pH or temperature.

Moreover, the carboxymethyl substituent at position 10 introduces hydrophilic character to the molecule without compromising its macrocyclic integrity. This balance between hydrophobicity and hydrophilicity makes it an ideal candidate for applications in drug delivery systems where both solubility and controlled release are required.

Recent advancements in computational chemistry have enabled researchers to model the molecular interactions within this compound at an unprecedented level of detail. These studies have provided insights into its electronic structure and conformational flexibility, which are critical for understanding its behavior in different environments.

In conclusion, CAS No. 247193-74-4, or 1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane, represents a cutting-edge material with a wide range of potential applications across multiple disciplines. Its unique combination of structural features makes it a valuable tool for scientists working on innovative solutions in chemistry and materials science.

247193-74-4 (1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane) Related Products

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Amadis Chemical Company Limited
(CAS:247193-74-4)1,4,7-Tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane
A1008818
Purity:99%/99%
Quantity:250mg/1g
Price ($):267.0/808.0
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