87771-41-3

Basic information

• Product Name: 1-[3-(2-hydroxypropan-2-yl)phenyl]ethanone
• Synonyms: 1-[3-(2-hydroxypropan-2-yl)phenyl]ethanone;Ethanone, 1-[3-(1-hydroxy-1-methylethyl)phenyl]-
• CAS NO: 87771-41-3
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.22766
• Mol File: 87771-41-3.mol

Chemical Properties

• Boiling Point: 276.2±15.0 °C(Predicted)
• Appearance: /
• Density: 1.056±0.06 g/cm3(Predicted)
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 14.20±0.29(Predicted)
• CAS DataBase Reference: 1-[3-(2-hydroxypropan-2-yl)phenyl]ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[3-(2-hydroxypropan-2-yl)phenyl]ethanone(87771-41-3)
• EPA Substance Registry System: 1-[3-(2-hydroxypropan-2-yl)phenyl]ethanone(87771-41-3)

Safety Data

• Hazardous Substances Data: 87771-41-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1-[3-(2-hydroxypropan-2-yl)phenyl]ethanone is used as a reagent for the synthesis of bioactive small molecules for various pharmaceutical applications. Its unique structure allows for the creation of compounds with diverse biological activities, making it a valuable tool in drug discovery and development.
Used in Chemical Research:
In the field of chemical research, 1-[3-(2-hydroxypropan-2-yl)phenyl]ethanone serves as a key intermediate in the synthesis of complex organic molecules. Its ability to participate in various chemical reactions makes it a useful building block for the development of new chemical entities with potential applications in various industries.
Used in Material Science:
1-[3-(2-hydroxypropan-2-yl)phenyl]ethanone can also be utilized in material science for the development of novel materials with specific properties. Its structural features can be exploited to create materials with tailored characteristics, such as improved stability, reactivity, or selectivity, which can be applied in various technological applications.

Upstream product

• 99-62-7 1,3-diisopropylbenzene 
• 80937-33-3 oxygen 
• 13387-60-5 3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene 
• 1397293-24-1 3-acetyl-α,α-dimethylbenzylamine 
• 1397293-17-2 3-acetyl-α,α-dimethylbenzyl isocyanate 
• 2094-99-7 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene 
• 1397293-26-3 C₁₁H₁₅NO₄S 
• 108-10-1 4-methyl-2-pentanone 

Downstream Products

• 87771-42-4 1-(3-(prop-1-en-2-yl)phenyl)ethanone 

Relevant articles and documents

COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS

Disclosed are compounds and pharmaceutically acceptable salts thereof, which are useful as inhibitors of IMPDH. In certain embodiments, a compound selectively inhibits a parasitic IMPDH versus a host IMPDH. Also disclosed are pharmaceutical compositions comprising one or more compounds of the invention. Related methods of treating various parasitic and bacterial infections in mammals are disclosed. Moreover, the compounds may be used alone or in combination with other therapeutic or prophylactic agents, such as anti-virals, anti-inflammatory agents, antimicrobials and immunosuppressants.

Selective and potent urea inhibitors of cryptosporidium parvum inosine 5′-monophosphate dehydrogenase

Cryptosporidium parvum and related species are zoonotic intracellular parasites of the intestine. Cryptosporidium is a leading cause of diarrhea in small children around the world. Infection can cause severe pathology in children and immunocompromised patients. This waterborne parasite is resistant to common methods of water treatment and therefore a prominent threat to drinking and recreation water even in countries with strong water safety systems. The drugs currently used to combat these organisms are ineffective. Genomic analysis revealed that the parasite relies solely on inosine-5′-monophosphate dehydrogenase (IMPDH) for the biosynthesis of guanine nucleotides. Herein, we report a selective urea-based inhibitor of C. parvum IMPDH (CpIMPDH) identified by high-throughput screening. We performed a SAR study of these inhibitors with some analogues exhibiting high potency (IC50 1000-fold versus human IMPDH type 2 and good stability in mouse liver microsomes. A subset of inhibitors also displayed potent antiparasitic activity in a Toxoplasma gondii model.

Process for the production of a dihydroxybenzene and dicarbinol from diisopropylbenzene

Improved methods for the simultaneous production of dihydroxybenzene and dicarbinol from diisopropylbenzene are provided. These methods provide for continuous and simultaneous production of diisopropylbenzene dihydroperoxide (DHP) and diisopropylbenzene hydroxyhydroperoxide (HHP) using Karr Column extractors operated in series. A very high purity DHP-containing solution, the precursor to the dihydroxybenzene, can be produced according to the reported methods. A safe and efficient method for producing dicarbinol from HHP is also disclosed.

Method for producing aromatic carbonyl compounds

A method for producing an aromatic carbonyl compound represented by the formula (B)-1 or (B)-2: STR1 comprising decomposing a hydroperoxide represented by the formula (A)-1 or (A)-2: STR2 wherein R1, R2, R3 and R4/su