Cas no 166668-33-3 (4,7,10,13-Tetraoxaheptadec-15-enoicacid, 17-bromo-, 1,1-dimethylethyl ester, (15E)-)

4,7,10,13-Tetraoxaheptadec-15-enoicacid, 17-bromo-, 1,1-dimethylethyl ester, (15E)- structure
166668-33-3 structure
Product Name:4,7,10,13-Tetraoxaheptadec-15-enoicacid, 17-bromo-, 1,1-dimethylethyl ester, (15E)-
CAS No:166668-33-3
MF:C17H31BrO6
MW:411.328445672989
CID:110788
PubChem ID:11069636
Update Time:2025-05-17

4,7,10,13-Tetraoxaheptadec-15-enoicacid, 17-bromo-, 1,1-dimethylethyl ester, (15E)- Chemical and Physical Properties

Names and Identifiers

    • 4,7,10,13-Tetraoxaheptadec-15-enoicacid, 17-bromo-, 1,1-dimethylethyl ester, (15E)-
    • tert-butyl 3-[2-[2-[2-(4-bromobut-2-enoxy)ethoxy]ethoxy]ethoxy]propanoate
    • T-BUTYL TRANS-17-BROMO-4,7,10,13-TETRAOXA-15-HEPTADECENOATE
    • tert-butyl (15E)-17-bromo-4,7,10,13-tetraoxaheptadec-15-en-1-oate
    • tert-Butyl trans-17-broMo-4,7,10,13-tetraoxa-15-heptadecenoate
    • T-BUTYL TRANS-17-BROMO-4 7 10 13-TETRAOX
    • AKOS025294680
    • tert-Butyl trans-17-bromo-4,7,10,13-tetraoxa-15-heptadecenoate, >=95.0% (AT)
    • SCHEMBL1577653
    • 166668-33-3
    • J-010305
    • 4,7,10,13-Tetraoxaheptadec-15-enoic acid, 17-bromo-, 1,1-dimethylethyl ester, (15E)-
    • Hycron linker
    • Tert-butyl 3-[2-[2-[2-[(E)-4-bromobut-2-enoxy]ethoxy]ethoxy]ethoxy]propanoate
    • Inchi: 1S/C17H31BrO6/c1-17(2,3)24-16(19)6-9-21-11-13-23-15-14-22-12-10-20-8-5-4-7-18/h4-5H,6-15H2,1-3H3/b5-4+
    • InChI Key: ZCDCGWNGIROULA-SNAWJCMRSA-N
    • SMILES: BrC/C=C/COCCOCCOCCOCCC(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 410.13040g/mol
  • Monoisotopic Mass: 410.13040g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 17
  • Complexity: 328
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 63.2?2

Experimental Properties

  • Density: 1.182?g/mL?at 20?°C(lit.)
  • Boiling Point: 442.335°C at 760 mmHg
  • Flash Point: 221.317°C
  • Refractive Index: n20/D 1.475
  • PSA: 63.22000
  • LogP: 2.73570

4,7,10,13-Tetraoxaheptadec-15-enoicacid, 17-bromo-, 1,1-dimethylethyl ester, (15E)- Security Information

  • WGK Germany:3
  • FLUKA BRAND F CODES:10

4,7,10,13-Tetraoxaheptadec-15-enoicacid, 17-bromo-, 1,1-dimethylethyl ester, (15E)- Pricemore >>

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4,7,10,13-Tetraoxaheptadec-15-enoicacid, 17-bromo-, 1,1-dimethylethyl ester, (15E)- Related Literature

Additional information on 4,7,10,13-Tetraoxaheptadec-15-enoicacid, 17-bromo-, 1,1-dimethylethyl ester, (15E)-

4,7,10,13-Tetraoxaheptadec-15-enoic Acid, 17-Bromo-, 1,1-Dimethylethyl Ester, (15E)-: A Comprehensive Overview

The compound with CAS No. 166668-33-3, known as 4,7,10,13-Tetraoxaheptadec-15-enoic acid, 17-bromo, (E)-configuration, and its ethyl ester derivative, has garnered significant attention in the fields of organic chemistry and materials science. This compound is a member of the broader class of polyoxabicyclic compounds, which are characterized by their multiple oxygen atoms strategically positioned within their molecular framework. The presence of a bromine atom at the 17th position further enhances its reactivity and potential applications in various chemical transformations.

Recent studies have highlighted the importance of such compounds in the development of advanced materials. For instance, researchers have explored the use of 4,7,10,13-Tetraoxaheptadec-enoic acid derivatives in creating high-performance polymers with enhanced thermal stability and mechanical properties. The ethyl ester form of this compound is particularly valuable due to its improved solubility in organic solvents, making it an ideal candidate for polymer synthesis and other industrial applications.

The (E)-configuration of this compound plays a critical role in determining its physical and chemical properties. This configuration ensures a specific spatial arrangement of substituents around the double bond at position 15. Such stereochemical control is essential for achieving desired reactivity and selectivity in chemical reactions. Recent advancements in asymmetric synthesis techniques have enabled the precise preparation of this enoic acid derivative with high enantiomeric excess (ee), paving the way for its application in chiral catalysis and enantioselective reactions.

In terms of biological applications, 4,7,10,13-Tetraoxaheptadec-enoic acid derivatives have shown promise as potential bioactive agents. Preclinical studies suggest that these compounds may exhibit anti-inflammatory and antioxidant properties due to their unique molecular architecture. The bromine atom at position 17 contributes to their electronic properties and could serve as a reactive site for further functionalization or bioconjugation.

From a synthetic standpoint, the preparation of this compound involves multi-step reactions that require meticulous control over reaction conditions. The use of transition metal catalysts has significantly streamlined the synthesis process. For example, palladium-catalyzed cross-coupling reactions have been employed to introduce the bromine substituent at position 17 with high efficiency. Such methods align with green chemistry principles by minimizing waste generation and reducing energy consumption.

The ethyl ester derivative of this compound is particularly advantageous for large-scale production due to its stability during storage and transportation. Its application in pharmaceutical intermediates has been explored extensively. Researchers have demonstrated that this derivative can serve as a versatile building block for constructing complex molecules with therapeutic potential.

In conclusion,4,7,10,Tetraoxaheptadec-enoic acid derivatives represent a valuable class of compounds with diverse applications across multiple disciplines. Ongoing research continues to uncover new avenues for their utilization while improving synthetic methodologies to enhance their accessibility and affordability.

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