13505-39-0

Basic information

• Product Name: β-Hydroxybutyrophenone
• Synonyms: 1-Benzoyl-2-propanol;β-Hydroxybutyrophenone
• CAS NO: 13505-39-0
• Molecular Formula: C₁₀H₁₂O₂
• Molecular Weight: 164.2
• Mol File: 13505-39-0.mol
• Article Data: 42

Chemical Properties

• Boiling Point: 150-152 °C(Press: 12 Torr)
• Appearance: /
• Density: 1.081±0.06 g/cm3(Predicted)
• PKA: 14.43±0.20(Predicted)
• CAS DataBase Reference: β-Hydroxybutyrophenone(CAS DataBase Reference)
• NIST Chemistry Reference: β-Hydroxybutyrophenone(13505-39-0)
• EPA Substance Registry System: β-Hydroxybutyrophenone(13505-39-0)

Safety Data

• Hazardous Substances Data: 13505-39-0(Hazardous Substances Data)

Usage

General Description

β-Hydroxybutyrophenone, also known as β-OH-BuPh or BHP, is a chemical compound belonging to the class of phenylketones. It is a white crystalline solid with a faint aromatic odor and is insoluble in water, but soluble in organic solvents. It is commonly used as an intermediate in the production of pharmaceuticals and fragrances. β-Hydroxybutyrophenone has also been studied for its potential as a psychotropic agent and has shown antidepressant and anxiolytic properties in some animal studies. Additionally, it has been investigated for its potential use as a chiral auxiliary in asymmetric synthesis. However, it is important to note that this compound may have potential health hazards and precautions should be taken when handling and using it.

Upstream product

• 614-20-0 3-oxo-3-phenylpropionic acid 
• 65469-88-7 1-phenylbutane-1,3-diol 
• 17180-62-0 (3-methyloxiran-2-yl)(phenyl)methanone 
• 141-75-3 butyryl chloride 
• 108-95-2 phenol 
• 64-17-5 ethanol 
• 2206-94-2 1-acetoxy-1-phenylethene 
• 98-86-2 acetophenone 
• 71-43-2 benzene 
• 39623-95-5 1-phenylprop-1-enyl acetate 
• 495-41-0 1-phenylbut-2-en-1-one 
• 100-42-5 styrene 
• 35660-91-4 (E)-1-phenyl-2-buten-1-one 
• 93-91-4 1-phenylbutan-1,3-dione 

Downstream Products

• 495-41-0 1-phenylbut-2-en-1-one 
• 76926-84-6 (+/-)-3-acetoxy-1-phenylbutan-1-one 
• 35660-91-4 (E)-1-phenyl-2-buten-1-one 
• 105735-20-4 (3S)-(+)-3-hydroxy-1-phenylbutan-1-one 
• 116660-74-3 (-)-(3R)-3-hydroxy-1-phenylbutan-1-one 
• 578020-31-2 (3R)-3-hydroxy-1-phenylbutan-1-one acetate 
• 34880-85-8 3-chloro-1-phenylbutan-1-one 
• 123660-24-2 (+/-)-1,1-diphenyl-1,3-butanediol 
• 93-91-4 1-phenylbutan-1,3-dione 
• 1286722-86-8 C₂₀H₁₉F₃O₄ 
• 122968-91-6 (E,3RS,1'SR)-3-(1'-hydroxy-1'phenyl-2'-butenyl)-1-methyl-2-pyrrolidinone 
• 122968-92-7 (E,3RS,1'SR)-3-(1'-hydroxy-1'-phenyl-2'-butenyl)-1-methyl-2-pyrrolidinone 
• 122969-97-5 (2'RS,3'SR)-1-(2',3'-dimethyl-1',5'-dioxo-5'-phenylpentyl)pyrrolidine 
• 122968-58-5 (2'RS,3'RS)-1-(2',3'-dimethyl-1',5'-dioxo-5'-phenylpentyl)pyrrolidine 

Relevant articles and documents

Design, synthesis and biological evaluation of substituted 2-amino-1,3-thiazine derivatives as antituberculosis and anti-cancer agents

A series of substituted 2-amino-1,3-thiazines were synthesized as amides (9a–9i), carbamates (9j–9m), sulfonamides (9n–9o) and urea derivatives (9p–9q) by treating the compound 7 with acid chlorides (8a–8i), chloroformates (8j–8m), sulfonyl chlorides (8n–8o) and isocyanates (8p–8q) respectively. The synthesized compounds (9a–9q) were screened for antituberculosis activity against Mycobacterium tuberculosis H37Rv ATCC 27294 and the results show that some of these derivatives possess good activity against Mycobacterium tuberculosis H37Rv ATCC 27294. A few also display promising cytotoxic activity against human breast cancer MCF-7 and human esophageal cancer EC-9706 cell lines. Regarding both biological profiles 9b, 9m and 9h are the most active for anti-cancer, anti-TB activity.

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Boron-catalyzed environmentally benign dehydrative Friedel-Crafts alkylation of indole/pyrrole and aniline derivatives with β-hydroxyl ketones has been developed for the first time. This method provides an efficient and green replacement of toxic and unst

Indium(III)-Catalyzed Hydration and Hydroalkoxylation of α,β-Unsaturated Ketones in Aqueous Media

The hydration of α,β-unsaturated ketones with water proceeded efficiently in the presence of In(OTf)3 (20 mol%) in aqueous media to afford synthetically versatile β-hydroxyketones in moderate to good yields with good functional group compatibility. The method also can be extended to the hydroalkoxylation of α,β-unsaturated ketones with various alcohols for the efficient synthesis of β-alkoxyketones as well as tetrahydrofuran derivatives. (Figure presented.).