Azido-PEG9-t-butyl ester - ≥98% , CAS No.1818294-43-7

CAS: 1818294-43-7 Cat. No.: A595334 Molecular Weight: 567.7 PubChem CID: 77078359

GRADE & PURITY ≥98%

Synonyms

BP-21823 | HY-140780 | Azido-PEG9-t-butyl ester | tert-butyl 1-azido-3,6,9,12,15,18,21,24,27-nonaoxatriacontan-30-oate | F82570 | DTXSID301125969 | Azido-PEG9-Boc | 4,7,10,13,16,19,22,25,28-Nonaoxatriacontanoic acid, 30-azido-, 1,1-dimethylethyl ester | 1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Azido-PEG9-t-butyl ester is a PEG derivative containing an azide group and a t-butyl ester. The hydrophilic PEG spacer increases solubility in aqueous media. The azide group can react with alkyne, BCN, DBCO via Click Chemistry to yield a stable triazole linkage. The t-butyl protected carboxyl group can be deprotected under acidic conditions.

Specifications

Synonyms

BP-21823 | HY-140780 | Azido-PEG9-t-butyl ester | tert-butyl 1-azido-3, 6, 9, 12, 15, 18, 21, 24, 27-nonaoxatriacontan-30-oate | F82570 | DTXSID301125969 | Azido-PEG9-Boc | 4, 7, 10, 13, 16, 19, 22, 25, 28-Nonaoxatriacontanoic acid, 30-azido-, 1, 1-dimethylethyl ester | 1

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
• IUPAC Name: tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: HNZVYHQBKFTIJZ-UHFFFAOYSA-N
• INCHI: 1S/C25H49N3O11/c1-25(2,3)39-24(29)4-6-30-8-10-32-12-14-34-16-18-36-20-22-38-23-21-37-19-17-35-15-13-33-11-9-31-7-5-27-28-26/h4-23H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
• Alternate CAS: 1818294-43-7
• PubChem CID: 77078359
• Molecular Weight: 567.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Class Allyl-type 1,3-dipolar organic compounds
      • Subclass Azo imides

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Class: Allyl-type 1,3-dipolar organic compounds
• Subclass: Azo imides
• Intermediate Tree Nodes: Not available
• Direct Parent: Azo imides
• Alternative Parents: Carboxylic acid esters Azo compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Azo compound - Azo imide - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as azo imides. These are n-Imides of azo compounds, analogous to azoxy compounds, having a delocalized structure.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility in Water, DMSO, DCM, DMF
• Molecular Weight: 567.700 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 32
• Exact Mass: 567.337 Da
• Monoisotopic Mass: 567.337 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 588.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1