4-Hydroxynon-2-en-8-ynal

Base Information

• Chemical Name: 4-Hydroxynon-2-en-8-ynal
• CAS No.: 1011268-23-7
• Molecular Formula: C₉H₁₂O₂
• Molecular Weight: 152.193
• DSSTox Substance ID: DTXSID20693938
• Mol file: 1011268-23-7.mol

Synonyms:4-hydroxynon-2-en-8-ynal;4-hydroxy Nonenal Alkyne;1011268-23-7;(E)-4-Hydroxynon-2-en-8-ynal;DTXSID20693938;CHEBI:189984;PD050777

Chemical Property of 4-Hydroxynon-2-en-8-ynal

Chemical Property:

• Boiling Point: 292.3±40.0 °C(Predicted)
• PKA: 12.98±0.20(Predicted)
• PSA: 37.30000
• Density: 1.016±0.06 g/cm3(Predicted)
• LogP: 0.90590
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

4-hydroxy Nonenal Alkyne ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCCCC(C=CC=O)O
• Uses: 4-hydroxy Nonenal (4-HNE) is a major aldehyde produced during the lipid peroxidation of ω-6 polyunsaturated fatty acids, such as arachidonic acid and linoleic acid. It is considered a potential causal agent in numerous diseases, including chronic inflammation, neurodegenerative diseases, atherosclerosis, diabetes, and cancer, in part because it covalently modifies DNA and proteins resulting in genetic mutations and altered cell signaling, respectively. 4-HNE Alkyne is a form of 4-HNE with a terminal alkyne. Such terminal alkyne groups can be used in linking reactions, known as click chemistry, characterized by high dependability and specificity of azide-alkyne bioconjugation reactions. Click chemistry has only recently been applied to the study of oxidized lipids.[Cayman Chemical]

Technology Process of 4-Hydroxynon-2-en-8-ynal

There total 1 articles about 4-Hydroxynon-2-en-8-ynal 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:

C15H26O2Si (1011268-37-3) → C9H12O2 (1011268-23-7)

Guidance literature:

With hydrogen fluoride; In acetonitrile; for 1h;

DOI:10.1021/tx700347w

Reference yield:

C9H12O2 (1011268-23-7) + Ser-Leu-Arg-Arg-Ser-Ser-Cys-Phe-Gly-Gly-Arg → C58H98N20O17S

Guidance literature:

C₉H₁₂O₂; Ser-Leu-Arg-Arg-Ser-Ser-Cys-Phe-Gly-Gly-Arg; In phosphate buffer; dimethyl sulfoxide; at 37 ℃; for 1h; pH=7.4;

With sodium tetrahydroborate; In phosphate buffer; dimethyl sulfoxide; Further stages.;

DOI:10.1021/tx700347w

Reference yield:

C9H12O2 (1011268-23-7) + C22H39N7O5S (1011268-29-3) + Ser-Leu-Arg-Arg-Ser-Ser-Cys-Phe-Gly-Gly-Arg → C80H137N27O22S2

Guidance literature:

C₉H₁₂O₂; Ser-Leu-Arg-Arg-Ser-Ser-Cys-Phe-Gly-Gly-Arg; In phosphate buffer; dimethyl sulfoxide; at 37 ℃; for 1h; pH=7.4;

With sodium tetrahydroborate; In phosphate buffer; dimethyl sulfoxide;

C₂₂H₃₉N₇O₅S; With copper(II) sulfate; sodium L-ascorbate; tris[(1-benzyl-1H-1,2,3-triazol-4yl)methyl]amine; In phosphate buffer; dimethyl sulfoxide; acetonitrile; at 20 ℃; for 1h; Further stages.;

DOI:10.1021/tx700347w

upstream raw materials:

C₁₅H₂₆O₂Si

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