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2-(2-Fluorophenyl)propan-2-ol is an organic compound with the molecular formula C9H11FO. It is a colorless liquid at room temperature and has a molecular weight of 156.18 g/mol. This chemical is characterized by the presence of a fluorophenyl group (a phenyl ring with a fluorine atom) attached to a propan-2-ol (also known as isopropanol) moiety. The fluorine atom in the 2-position of the phenyl ring imparts unique electronic and steric properties to the molecule, which can affect its reactivity and physical properties compared to its non-fluorinated analogs. 2-(2-Fluorophenyl)propan-2-ol may be used in the synthesis of pharmaceuticals, agrochemicals, or other specialty chemicals where the introduction of fluorine can significantly alter the biological activity or physical properties of the final product.

320-12-7

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320-12-7 Usage

Physical state

Colorless liquid

Odor

Slightly sweet

Common uses

Precursors in the synthesis of pharmaceuticals and fragrances, chiral auxiliary in organic synthesis

Safety precautions

Flammable, may cause skin and eye irritation upon contact

Check Digit Verification of cas no

The CAS Registry Mumber 320-12-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,2 and 0 respectively; the second part has 2 digits, 1 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 320-12:
(5*3)+(4*2)+(3*0)+(2*1)+(1*2)=27
27 % 10 = 7
So 320-12-7 is a valid CAS Registry Number.

320-12-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(2'-fluorophenyl)propan-2-ol

1.2 Other means of identification

Product number -
Other names 2-(2-fluoro-phenyl)-propan-2-ol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:320-12-7 SDS

320-12-7Relevant academic research and scientific papers

HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME

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Paragraph 0512-0514, (2021/11/20)

Provided are a heterocyclic compound represented by Formula 1 and an organic light-emitting device including the same. The organic light-emitting device includes: a first electrode; a second electrode facing the first electrode; and an organic layer betwe

Fluorinations of unsymmetrical diaryliodonium salts containing: Ortho -sidearms; Influence of sidearm on selectivity

Abudken, Ahmed M. H.,Hope, Eric G.,Singh, Kuldip,Stuart, Alison M.

, p. 6140 - 6146 (2020/10/30)

Activated aromatics were reacted with two different fluoroidoane reagents 1 and 2 in the presence of triflic acid to prepare only the para-substituted diaryliodonium salts. With fluoroiodane 1 the unsymmetrical diaryliodonium salts contained an ortho-propan-2-ol sidearm, whereas the alcohol sidearm was eliminated to form an ortho-styrene sidearm in the reaction with fluoroiodane 2. Only the diaryliodonium salts containing a styrene sidearm were fluorinated successfully to deliver para-fluorinated aromatics in good yields.

One-Pot C-H Arylation/Lactamization Cascade Reaction of Free Benzylamines

Chand-Thakuri, Pratibha,Landge, Vinod G.,Kapoor, Mohit,Young, Michael C.

supporting information, p. 6626 - 6644 (2020/07/14)

An efficient method has been developed for the synthesis of seven-membered biaryl lactams involving Pd-catalyzed, native amine-directed, ortho-arylation of benzylamines followed by in situ lactamization. This cascade sequence is enabled by the use of 2-iodobenzoates, which facilitates C-H arylation from the free amine under conditions that typically require an improved directing group approach. This reaction is characterized by a broad substrate scope with good functional group tolerance. The need for an ester versus carboxylic acid-functionalized coupling partner is also explored, as is the potential for synthesizing eight-membered biaryl lactams. Various applications are also investigated, including access to the aza-brassinolide core.

Carbon Dioxide-Mediated C(sp2)-H Arylation of Primary and Secondary Benzylamines

Kapoor, Mohit,Chand-Thakuri, Pratibha,Young, Michael C.

supporting information, p. 7980 - 7989 (2019/05/22)

C-C bond formation by transition metal-catalyzed C-H activation has become an important strategy to fabricate new bonds in a rapid fashion. Despite the pharmacological importance of ortho-arylbenzylamines, however, effective ortho-C-C bond formation of free primary and secondary benzylamines using PdII remains an outstanding challenge. Presented herein is a new strategy for constructing ortho-arylated primary and secondary benzylamines mediated by carbon dioxide (CO2). The use of CO2 with Pd is critical to allowing this transformation to proceed under relatively mild conditions, and mechanistic studies indicate that it (CO2) is directly involved in the rate-determining step. Furthermore, the milder temperatures furnish free amine products that can be directly used or elaborated without the need for deprotection. In cases where diarylation is possible, an interesting chelate effect is shown to facilitate selective monoarylation.

The cumene/O2 system: A very simple tool for the radical chain oxidation of some functional groups

Malekafzali,Malinovska,Patureau

supporting information, p. 6981 - 6985 (2017/08/02)

Due to the relative stability of the cumyl radical, cumenes and α-methyl-styrenes are ideally structured to directly harvest the oxidizing reactivity of O2 and initiate radical chain reactions in catalyst-free conditions. In the absence of additional substrates, these processes can lead to acetophenones. In the presence of substrates, the cumene oxidation process can be intercepted in various chain reactions, affording very simple protocols for functional group oxidation.

NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND

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Paragraph 0338-0340, (2016/08/29)

The present invention provides a compound represented by the following formula (I) or its pharmaceutically acceptable salt: [wherein, R1 represents optionally substituted C1-4 alkyl, n shows integer of 1 to 4, R2 represents optionally substituted C1-4 alkyl or hydrogen atom, R3 represents optionally substituted C1-4 alkyl, R4a, R4b, R4c, and R4d, similarly or differently, represent optionally substituted C6-14 aryl, optionally substituted C1-4 alkyl, or hydrogen atom and the like, A represents optionally substituted C6-14 aryl or optionally substituted 5 to 11 membered heteroaryl].

Pyruvate kinase activators for use in therapy

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Page/Page column 92, (2016/08/29)

Described herein are methods for using compounds that activate pyruvate kinase.

THERAPEUTIC COMPOUNDS AND COMPOSITIONS

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Page/Page column 21-22, (2012/07/14)

Compounds and compositions comprising compounds that modulate pyruvate kinase M2 (PKM2) are described herein. Also described herein are methods of using the compounds that modulate PKM2 in the treatment of cancer.

ortho-Effect on the acid-catalyzed hydration of 2-substituted α-methylstyrenes

Prusek, Ondrej,Bures, Filip,Pytela, Oldrich

experimental part, p. 85 - 99 (2009/06/06)

α-Methylstyrene and nine ortho-substituted analogs have been synthesized and the kinetics of their acid-catalyzed hydration in aqueous solutions of sulfuric acid at 25°C have been investigated. The kinetic acidity function HS has been constructed from the dependence of the observed rate constants kobs on the sulfuric acid concentration. The catalytic rate constants of the acid-catalyzed hydration kortho have been calculated as well. The identical shape of the kinetic acidity functions for ortho- and para-derivatives confirms what the consistent mechanism A-SE2 of the acid-catalyzed hydration has already proved for the corresponding paraderivatives. The A-SE2 mechanism involves a rate-determining proton transfer of the hydrated proton to the substrate. From the dependence of the catalytic rate constants of the ortho-derivatives on the catalytic rate constants of the para-derivatives, it is seen that the logarithm of the catalytic rate constant for hydrogen as a substituent is markedly out of the range of the other substituents and, simultaneously, that the ortho-derivatives react significantly slower than the corresponding para-derivatives. In correlation with the substitent constants σp+, a reaction constant of ρ+= -1.45 have been found. The constant is, in absolute value, considerably smaller than that for para-derivatives (ρ+ = -3.07). In parallel, the steric effects are enforced more significantly for the monoatomic substituents (slope of the Charton's constants 3.92) than for substituents including more atoms (slope of the Charton's constants 2.09). A small value of the reaction constant ρ+ has been elucidated due to the lower conjugation between the reaction centre and the benzene ring as a consequence of the geometric twist of the reaction centre out of the main aromatic plane accompanied by fading mesomeric interaction between the reaction centre and the substituents attached to the benzene ring. The isopropyl group in the carbocation is twisted less out of the aromatic plane for the monoatomic substituents and, therefore, also a small difference in the bulk of substituents has considerable steric influence on the conjugation between the carbocation and the benzene ring bearing substituents. On the contrary, the isopropyl group in the carbocations with polyatomic substituents is twisted to such a degree that changes in the bulk of substituents affect the resonant stabilization negligibly. Similar conclusions were also deduced from the correlations of the substitution constants σI and σR+.

AROMATIC ACETYLCHOLINESTERASE INHIBITORS

-

, (2008/06/13)

Compounds of general formula (I), stereosiomers and pharmaceutically acceptable salts thereof, wherein each of Z and Z' are independently H or F; Q is (a), CH(OH), (b); X is H, Br, Cl, F or CF3 ; Y is H, Br, Cl, F, OH, OR5, OC(O)R4, N3, CN, NO2, SO3 H, CO

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