Azido-PEG3-CH2CO2-t-Bu - ≥98% , CAS No.172531-36-1

CAS: 172531-36-1 Cat. No.: A596274 Summenformel: C₁₂H₂₃N₃O₅ Molekulargewicht: 289.33

GRADE & PURITY ≥98%

Synonyms

tert-Butyl 2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)acetate | Azido-PEG3-C-Boc

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

Azido-PEG3-CH2CO2-t-Bu 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

Synonyme

tert-Butyl 2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)acetate | Azido-PEG3-C-Boc

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528770669

Kanonisches Lächeln

CC(C)(C)OC(=O)COCCOCCOCCN=[N+]=[N-]

IUPAC Name

tert-butyl 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate

InChIKey

HMWOUJOCAQZURC-UHFFFAOYSA-N

INCHI

1S/C12H23N3O5/c1-12(2,3)20-11(16)10-19-9-8-18-7-6-17-5-4-14-15-13/h4-10H2,1-3H3

Isomere SMILES

CC(C)(C)OC(=O)COCCOCCOCCN=[N+]=[N-]

Molekulargewicht

289.33

Reaxy-Rn

8775772

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8775772&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in DMSO, DCM, DMF
• Molekulargewicht: 289.330 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 289.164 Da
• Monoisotopic Mass: 289.164 Da
• Topological Polar Surface Area: 68.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 311.000
• 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