Bolton-Hunter reagent

Base Information

• Chemical Name: Bolton-Hunter reagent
• CAS No.: 34071-95-9
• Molecular Formula: C13H13NO5
• Molecular Weight: 263.25
• Hs Code.: 2925190090
• European Community (EC) Number: 251-818-1
• NSC Number: 240876
• UNII: 9ADS738UZZ
• DSSTox Substance ID: DTXSID50187673
• Nikkaji Number: J319K
• Wikidata: Q83059384
• Mol file: 34071-95-9.mol

Synonyms:3-(4-hydroxyphenyl)propionic acid N-hydroxysuccinimide ester;HPPS;N-succinimidyl-3-(4-hydroxyphenyl)propionate

Chemical Property of Bolton-Hunter reagent

Chemical Property:

• Appearance/Colour: white to off-white powder
• Vapor Pressure: 1.13E-08mmHg at 25°C
• Melting Point: 132-133 °C (lit. )
• Refractive Index: 1.606
• Boiling Point: 448.8 °C at 760 mmHg
• PKA: 9.93±0.15(Predicted)
• Flash Point: 225.2 °C
• PSA: 83.91000
• Density: 1.4 g/cm³
• LogP: 0.86990
• Storage Temp.: −20°C
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (
• Water Solubility.: Soluble in water.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 263.07937252
• Heavy Atom Count: 19
• Complexity: 357

Purity/Quality:

99%, ^*data from raw suppliers

3-(4’-Hydroxyphenyl)propionicAcid-OSu(TechnicalGrade,~80%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC(=O)N(C1=O)OC(=O)CCC2=CC=C(C=C2)O
• Uses: Bolton-Hunter Reagent is used for iodination of proteins that do not contain tyrosine residues, Bolton-Hunter reagent precursor (3-(4-Hydroxyphenyl)propionic acid N-hydroxysuccinimide ester) is a hydroxysuccinimide ester used as an intermediate for high radioactive radioiodination of proteins. 3-(4-Hydroxyphenyl)propionic acid?N-hydroxysuccinimide ester can be used to prepare 125I-labeled reagents, which are used in binding assay studies of proteins and peptides.

Technology Process of Bolton-Hunter reagent

There total 3 articles about Bolton-Hunter reagent 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: 81.0%

1-hydroxy-pyrrolidine-2,5-dione (6066-82-6) + 4-hydroxyphenylpropionic acid (501-97-3) → N-succinimidyl-3-(p-hydroxyphenyl)propionate (34071-95-9)

Guidance literature:

With dicyclohexyl-carbodiimide; In tetrahydrofuran; at 0 ℃; for 2h;

DOI:10.1039/b308764f

Reference yield:

p-Coumaric Acid (7400-08-0,50940-26-6) → N-succinimidyl-3-(p-hydroxyphenyl)propionate (34071-95-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / H₂ / Pd/C / methanol

2: 81 percent / DCC / tetrahydrofuran / 2 h / 0 °C

With hydrogen; dicyclohexyl-carbodiimide; palladium on activated charcoal; In tetrahydrofuran; methanol;

DOI:10.1039/b308764f

Reference yield:

→ N-succinimidyl-3-(p-hydroxyphenyl)propionate (34071-95-9)

Guidance literature:

DOI:10.1002/jlcr.2580150156 DOI:10.1042/bj1330538

upstream raw materials:

1-hydroxy-pyrrolidine-2,5-dione

4-hydroxyphenylpropionic acid

p-Coumaric Acid

Downstream raw materials:

(S)-3-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(4-hydroxy-phenyl)-propionylamino]-hexanoylamino}-N-((S)-1-carbamoyl-2-phenyl-ethyl)-succinamic acid

N-(2-{2-[4-(2-{4-[9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-ylamino]-phenyl}-acetylamino)-phenyl]-acetylamino}-ethyl)-3-(4-hydroxy-phenyl)-propionamide

bolpyramine

17α-(3'-amino-1'-propyn-1'-yl)-1,3,5(10)-estratriene-3,17β-diol 3-(p-hydroxyphenyl)propionamide

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