64479-84-1

Basic information

• Product Name: (3-HYDROXYPHENYL)ACETONE
• Synonyms: (3-HYDROXYPHENYL)ACETONE;1-(3-hydroxyphenyl)acetone;1-(3-Hydroxyphenyl)-2-propanone
• CAS NO: 64479-84-1
• Molecular Formula: C₉H₁₀O₂
• Molecular Weight: 150.17
• EINECS: 264-905-4
• Product Categories: Aromatic Ketones (substituted)
• Mol File: 64479-84-1.mol

Chemical Properties

• Boiling Point: 276.1°C at 760 mmHg
• Flash Point: 115.4°C
• Appearance: /
• Density: 1.118g/cm³
• Vapor Pressure: 0.00291mmHg at 25°C
• Refractive Index: 1.543
• PKA: 9.75±0.10(Predicted)
• CAS DataBase Reference: (3-HYDROXYPHENYL)ACETONE(CAS DataBase Reference)
• NIST Chemistry Reference: (3-HYDROXYPHENYL)ACETONE(64479-84-1)
• EPA Substance Registry System: (3-HYDROXYPHENYL)ACETONE(64479-84-1)

Safety Data

• Hazardous Substances Data: 64479-84-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H10O2/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6,11H,5H2,1H3

Upstream product

• 1737-19-5 (3-fluorophenyl)acetone 
• 100-83-4 meta-hydroxybenzaldehyde 
• 591-31-1 3-methoxy-benzaldehyde 
• 25594-66-5 1-cyano-1-(m-methoxyphenyl)propan-2-one 
• 19924-43-7 3-methoxyphenylacetonitrile 
• 139377-33-6 phenylmethyl 2-[3-(phenylmethoxy)phenyl]acetate 
• 1860-58-8 3-benzyloxyphenylacetic acid 
• 621-37-4 m-hydroxyphenylacetic acid 
• 62932-75-6 <3-(benzyloxy)phenyl>acetone 
• 3027-13-2 1-(3-methoxyphenyl)propan-2-one 
• 61131-60-0 3-(2-nitropropyl-1-en-1-yl)phenol 

Downstream Products

• 1075-61-2 Desoxy metaraminol 
• 121-33-5 vanillin 

Relevant articles and documents

Catalytic SNAr Hydroxylation and Alkoxylation of Aryl Fluorides

Nucleophilic aromatic substitution (SNAr) is a powerful strategy for incorporating a heteroatom into an aromatic ring by displacement of a leaving group with a nucleophile, but this method is limited to electron-deficient arenes. We have now established a reliable method for accessing phenols and phenyl alkyl ethers via catalytic SNAr reactions. The method is applicable to a broad array of electron-rich and neutral aryl fluorides, which are inert under classical SNAr conditions. Although the mechanism of SNAr reactions involving metal arene complexes is hypothesized to involve a stepwise pathway (addition followed by elimination), experimental data that support this hypothesis is still under exploration. Mechanistic studies and DFT calculations suggest either a stepwise or stepwise-like energy profile. Notably, we isolated a rhodium η5-cyclohexadienyl complex intermediate with an sp3-hybridized carbon bearing both a nucleophile and a leaving group.

Transaminase-Mediated Amine Borrowing via Shuttle Biocatalysis

Shuttle catalysis has emerged as a useful methodology for the reversible transfer of small functional groups, such as CO and HCN, and goes far beyond transfer hydrogenation chemistry. While a biocatalytic hydrogen-borrowing methodology is well established, the biocatalytic borrowing of alternative functional groups has not yet been realized. Herein, we present a new concept of amine borrowing via biocatalytic shuttle catalysis, which has no counterpart in chemo-shuttle catalysis and allows efficient intermolecular amine shuttling to generate reactive intermediates in situ. By coupling this dynamic exchange with an irreversible downstream step to displace the reaction equilibrium in the forward direction, high conversion to target products can be achieved. We showcase the potential of this amine-borrowing methodology using a biocatalytic equivalent of both the Knorr-pyrrole synthesis and Pictet-Spengler reaction.

Crystal form of L-lysinate of benzopiperidine derivative and preparation method thereof

The invention provides a crystal form of a L-lysinate of a benzopiperidine derivative and a preparation method of the crystal form. Specifically, the invention provides a crystal form II of L-lysinateof (E)-3-(4-((1R, 3R)-2-(4-cyclopropyl phenyl)-6-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-1, 2, 3, 4-tetrahydroisoquinoline-1-yl) phenyl) acrylate and a preparation method of the crystal form II. The crystal form II of the compound shown in the formula (I) has good stability and can be better applied to clinical treatment.

BENZOPIPERIDINE DERIVATIVE, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF

The present invention relates to a benzopiperidine derivative, a preparation method thereof and a medical use thereof. In particular, the present invention relates to a benzopiperidine derivative as shown by general formula (I), a preparation method thereof and a pharmaceutical composition containing the derivative, as well as a use thereof as an estrogen receptor modulator in the prevention and/or treatment of estrogen receptor-mediated or dependent diseases or conditions. Preferably, the disease is breast cancer. The substituents in the general formula (I) are the same as those defined in the description.

Compositions and methods for determining the presence of amphetamines in a sample suspected of containing amphetamine and/or methamphetamine

The instant invention is directed toward an immunoassay which can determine the presence of amphetamines in a sample suspected of containing amphetamine and/or methamphetamine by employing at least two conjugates, each comprised of a functionally similar label bound to an amphetamine analog and a methamphetamine analog respectively and an antibody to amphetamine and an antibody to methamphetamine wherein at least one of the antibodies is a monoclonal antibody.

Biosynthesis of Fungal Metabolites. Terrein, a Metabolite of Aspergillus terreus Thom

Terrein, a metabolite of Aspergillus terreus Thom, is biosynthesised from 3,4-dihydro-6,8-dihydroxy-3-methylisocoumarin by contraction of an aryl ring.The direction of the ring contraction has been investigated using acetate as precursor.

Intramolecular Alkylation of Phenols. Part 4. Base-catalysed Cyclisation of Phenolic Enones. Scope and Limitations

The phenolic enones (4), (5), (8), (9), and (13) cyclise readily under acidic conditions.However, neither these nor the thio-substituted phenols (11a), (13a), (14a), and (15a) closed under basic conditions.Involvement of unfavourable equilibria is disproved.Comparison is made with related successful cyclisations of the saturated ketone (38) and aldehyde (39).Preliminary results suggest that strict stereo-electronic requirements are necessary for enone ring closure and that these conditions are not met in base-catalysed 5-Endo- and 6-Endo-Trigonal ring closures of the phenols of general type (2; n=0 and n=1).