Acetylene-PEG5-acid

Base Information

• Chemical Name: Acetylene-PEG5-acid
• CAS No.: 1245823-51-1
• Molecular Formula: C₁₄H₂₄O₇
• Molecular Weight: 304.34
• Mol file: 1245823-51-1.mol

Synonyms:4,7,10,13,16‐pentaoxanonadec‐18‐ynoic acid

Chemical Property of Acetylene-PEG5-acid

Chemical Property:

• Boiling Point: 426.3±45.0 °C(Predicted)
• PKA: 4.28±0.10(Predicted)
• Density: 1.127±0.06 g/cm3(Predicted)
• Storage Temp.: ?20°C
• Solubility.: Soluble in Water, DMSO, DCM, DMF

Purity/Quality:

98%,99%, ^*data from raw suppliers

Propargyl-peg5Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Description: Propargyl-PEG5-acid has a propargyl group at one end and an acid group at the other end. The acid can react with primary amines to form a stable amide bond, activation will be needed. The PEG units enhances solubility of the molecule in aqueous environment. The propargyl group can be linked to azide-containing biomolecules via Click Chemistry.
• Uses: Propargyl-peg5 Acid is used as a reactant in the preparation of site-specific antibody-pyrrolobenzodiazepine conjugates. Alkyne-PEG5-acid may be used in the synthesis of peptide nucleic acid (PNA) oligomers that can conjugate with vitamin B12 via Cu-catalyzed 1,3-dipolar cycloaddition in order to study if vitamin B12 to transport PNA oligonucleotides into bacterial cells.

Technology Process of Acetylene-PEG5-acid

There total 2 articles about Acetylene-PEG5-acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

tert-butyl 4,7,10,13,16-pentaoxanonadec-18-ynoate (1245823-50-0) → 4,7,10,13,16‐pentaoxanonadec‐18‐ynoic acid (1245823-51-1,1421676-62-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1039/c0cc00784f

Reference yield:

→ 4,7,10,13,16‐pentaoxanonadec‐18‐ynoic acid (1245823-51-1,1421676-62-1)

Guidance literature:

Reference yield: 76.0%

4,7,10,13,16‐pentaoxanonadec‐18‐ynoic acid (1245823-51-1,1421676-62-1) + (9H-fluoren-9-yl)methyl ((S)-1-(((S)-1-((4-(hydroxymethyl)phenyl)amino)-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)carbamate (1343476-44-7) → C29H45N3O9

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; for 3.5h;

upstream raw materials:

tert-butyl 4,7,10,13,16-pentaoxanonadec-18-ynoate

Downstream raw materials:

propargyl-PEG₅-NHS ester