N-Hydroxysuccinimide iodo-p-hydroxyphenylpropionate

Base Information

• Chemical Name: N-Hydroxysuccinimide iodo-p-hydroxyphenylpropionate
• CAS No.: 65114-37-6
• Molecular Formula: C₁₃H₁₂INO₅
• Molecular Weight: 387.242
• UNII: S50T0M3E5Y
• DSSTox Substance ID: DTXSID70983659
• Wikidata: Q27288608

Synonyms:Bolton-Hunter reagent;Bolton-Hunter reagent, 125I-labeled;iodo-p-hydroxyphenylpropionic acid N-hydroxysuccinimide ester;N-hydroxysuccinimide iodo-p-hydroxyphenylpropionate

Chemical Property of N-Hydroxysuccinimide iodo-p-hydroxyphenylpropionate

Chemical Property:

• PSA: 83.91000
• Density: 1.88 g/cm³
• LogP: 1.47450
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 386.97618
• Heavy Atom Count: 20
• Complexity: 398

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

BOLTON HUNTER REAGENT-[125I](DIIODINATED) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1=O)OC(=O)CCC2=CC(=C(C=C2)O)I
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)CCC2=CC(=C(C=C2)O)[125I]

Technology Process of N-Hydroxysuccinimide iodo-p-hydroxyphenylpropionate

There total 1 articles about N-Hydroxysuccinimide iodo-p-hydroxyphenylpropionate 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:

→ Bolton-Hunter reagent (65114-37-6)

Guidance literature:

3-(4-Hydroxyphenyl)-propionsaeure-N-hydroxysuccinimidester, Chloramin T, <125I>Na;

Reference yield:

Bolton-Hunter reagent (65114-37-6) + 3-Amino-propionic acid (S)-3-[2-[(1R,3aS,7aR)-1-((R)-5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidene]-eth-(Z)-ylidene]-4-methylene-cyclohexyl ester → C39H56(125)INO5

Guidance literature:

With diethylamine; In tetrahydrofuran; at 25 ℃; for 18h;

DOI:10.1039/c39890001220

Reference yield:

Bolton-Hunter reagent (65114-37-6) + N-Desmethylzopiclone (59878-63-6,151776-26-0) → desmethylzopiclone-N-<3-(4-hydroxy-3-<125I>iodophenyl)-propionamide>

Guidance literature:

In 1,4-dioxane; benzene; Ambient temperature;

DOI:10.1002/jlcr.2580340311

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