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Benzenemethanol, 3,5-difluoro-alpha-methyl-, (alphaS)(9CI), also known as (S)-3,5-Difluoro-alpha-methylbenzyl alcohol, is a chiral chemical compound with the molecular formula C9H9F2O. It features a specific spatial arrangement of atoms and possesses potential applications in various fields, including organic synthesis, pharmaceuticals, and agrochemicals. Benzenemethanol, 3,5-difluoro-alpha-methyl-, (alphaS)(9CI) can be used as a building block for synthesizing biologically active compounds and as a reagent in chemical reactions. Additionally, it exhibits certain pharmacological properties, indicating potential therapeutic applications. However, it is crucial to handle this chemical with care and follow safety guidelines due to its potential hazards.

692732-03-9

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692732-03-9 Usage

Uses

Used in Organic Synthesis:
Benzenemethanol, 3,5-difluoro-alpha-methyl-, (alphaS)(9CI) is used as a building block in organic synthesis for the creation of various biologically active compounds. Its unique structure and functional groups make it a valuable component in the development of new organic molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, Benzenemethanol, 3,5-difluoro-alpha-methyl-, (alphaS)(9CI) is utilized as a key intermediate in the synthesis of drugs with potential therapeutic applications. Its chiral nature allows for the development of enantiomerically pure compounds, which can exhibit different pharmacological properties and reduce side effects.
Used in Agrochemicals:
Benzenemethanol, 3,5-difluoro-alpha-methyl-, (alphaS)(9CI) is also used in the agrochemical industry as a precursor for the synthesis of bioactive compounds with potential applications in crop protection and pest control. Its unique structure and properties can contribute to the development of novel agrochemicals with improved efficacy and selectivity.
Used as a Reagent in Chemical Reactions:
Benzenemethanol, 3,5-difluoro-alpha-methyl-, (alphaS)(9CI) serves as a reagent in various chemical reactions, facilitating the synthesis of complex organic molecules. Its presence can enhance reaction rates, improve yields, and enable the formation of specific products with desired properties.

Check Digit Verification of cas no

The CAS Registry Mumber 692732-03-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,9,2,7,3 and 2 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 692732-03:
(8*6)+(7*9)+(6*2)+(5*7)+(4*3)+(3*2)+(2*0)+(1*3)=179
179 % 10 = 9
So 692732-03-9 is a valid CAS Registry Number.

692732-03-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name (1S)-1-(3,5-difluorophenyl)ethanol

1.2 Other means of identification

Product number -
Other names -

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:692732-03-9 SDS

692732-03-9Downstream Products

692732-03-9Relevant academic research and scientific papers

Chromoselective Photocatalysis Enables Stereocomplementary Biocatalytic Pathways**

Schmermund, Luca,Reischauer, Susanne,Bierbaumer, Sarah,Winkler, Christoph K.,Diaz-Rodriguez, Alba,Edwards, Lee J.,Kara, Selin,Mielke, Tamara,Cartwright, Jared,Grogan, Gideon,Pieber, Bartholom?us,Kroutil, Wolfgang

supporting information, p. 6965 - 6969 (2021/03/03)

Controlling the selectivity of a chemical reaction with external stimuli is common in thermal processes, but rare in visible-light photocatalysis. Here we show that the redox potential of a carbon nitride photocatalyst (CN-OA-m) can be tuned by changing the irradiation wavelength to generate electron holes with different oxidation potentials. This tuning was the key to realizing photo-chemo-enzymatic cascades that give either the (S)- or the (R)-enantiomer of phenylethanol. In combination with an unspecific peroxygenase from Agrocybe aegerita, green light irradiation of CN-OA-m led to the enantioselective hydroxylation of ethylbenzene to (R)-1-phenylethanol (99 % ee). In contrast, blue light irradiation triggered the photocatalytic oxidation of ethylbenzene to acetophenone, which in turn was enantioselectively reduced with an alcohol dehydrogenase from Rhodococcus ruber to form (S)-1-phenylethanol (93 % ee).

A Cobalt(II) Complex Bearing the Amine(imine)diphosphine PN(H)NP Ligand for Asymmetric Transfer Hydrogenation of Ketones

Huo, Shangfei,Chen, Hong,Zuo, Weiwei

supporting information, p. 37 - 42 (2020/10/21)

Novel chiral cobalt complex a containing amine(imine)diphosphine PN(H)NP ligand and complex b containing bis(amine)diphosphine PN(H)N(H)P ligand were synthesized. The structures of two complexes were characterized by X-ray crystallography and high resolution mass spectrometry. The catalytic performances of cobalt complexes a and b for asymmetric transfer hydrogenation (ATH) of ketones under mild conditions were evaluated using 2-propanolisopropanol as solvent and hydrogen source after being activated by 8 equivalents of base. Complex a showed a good reactivity for reduction of ketones, with a turnover number (TON) of up to 555, and a maximum enantiomeric excess (ee) value of up to 91 %. Complex b exhibited inertness for hydrogenation of ketones. Electronic structure studies on a and b were conducted to account for the function of ligands on the catalytic performances.

COMPOUNDS, COMPOSITIONS, AND METHODS OF USE

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Paragraph 0382, (2020/12/11)

Described herein are compounds that act as CYP46A1 inhibitors, compositions comprising these compounds, and methods of their use into treating neurodegenerative diseases and the like, or a pharmaceutically active salt thereof. The present invention relates to compounds represented by the formula wherein each symbol is as defined in the specification, or a pharmaceutically active salt thereof.

Enantioselective Bioamination of Aromatic Alkanes Using Ammonia: A Multienzymatic Cascade Approach

Chen, Fei-Fei,Wang, Hui,Xu, Jian-He,Yu, Hui-Lei,Zheng, Yu-Cong

, (2020/03/10)

Chiral amines are common drug building blocks and important active pharmaceutical ingredients. Preparing these functionalized compounds from simple materials, such as alkanes, is of great interest. We recently developed an artificial bioamination cascade for the C?H amination of cyclic alkanes by combining P450 monooxygenase, alcohol dehydrogenase, and amine dehydrogenase. Herein, this system has been extended to the synthesis of chiral aromatic amines. In the first hydroxylation step, process optimization increased the conversion to 77 %. Two stereoselectively complementary alcohol dehydrogenases and an amine dehydrogenase were selected for the bioconversion of aromatic hydrocarbons to amines. The amination reaction was optimized with respect to cofactor addition and enzyme dosage. Isopropanol was added to decrease ketone intermediate accumulation in the amination step, which further enhanced the overall conversion. This cascade system converted a panel of hydrocarbon substrates into the corresponding amines with excellent optical purity (>99 % ee) and moderate conversion ratios (13–53 %).

FUNGICIDAL COMPOSITIONS

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Paragraph 1325-1327, (2014/11/27)

The present invention provides a composition comprising a combination of components A) and B), wherein component A) is a compound of formula (I) and the component (B) is a further fungicide, insecticide or herbicide.

THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS

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Paragraph 1096; 1097, (2014/07/23)

The present disclosure describes thiazole and pyridine carboxamide derivatives, their compositions and methods of use. The compounds inhibit the activity of the Pim kinases and are useful in the treatment of diseases related to the activity of Pim kinases including, e.g., cancer and other diseases.

NOVEL KINASE INHIBITORS

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Page/Page column 54, (2012/09/11)

The present invention provides compounds of Formula I: and related compounds as further described herein, and pharmaceutical compositions comprising these compounds. The invention further provides methods to use these compounds and compositions for treating disorders associated with undesired levels of Pim kinase activity, including cancers and autoimmune disorders.

FUNGICIDAL COMPOSITIONS

-

Page/Page column 370; 371, (2012/11/13)

The present invention provides a composition comprising a combination of components A) and B), wherein component A) is a compound of formula (I) and the component (B) is a further fungicide, insecticide or herbicide.

NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS

-

Page/Page column 28; Sheet 11, (2011/11/12)

The present invention relates to a compound of general Formula (XX), its formation and its use in asymmetric catalysis. In Formula (XX) R and R31 are independently —COOR3, —R4COOR3, —R4CHO, —R4COR3, —R4CONR5R6, —R4COX, —R4OP(═O)(OH)2, —R4P(═O)(OH)2), —R4C(O)C(R3)CR5R6 and —R4CO2COR3. In addition, R31 may also be hydrogen. R3, R5 and R6 are independently hydrogen, an aliphatic group with a main chain having 1 to about 20 carbon atoms, an alicyclic group, an aromatic group, an arylaliphatic group or an arylalicyclic group, comprising 0 to about 3 heteroatoms independently selected from the group consisting of N, O, S, Se and Si. R4 an aliphatic bridge with a main chain having 1 to about 20 carbon atoms, an alicyclic bridge, an aromatic bridge, an arylaliphatic bridge or an arylalicyclic bridge, comprising 0 to about 3 heteroatoms independently selected from the group consisting of N, O, S, Se and Si, and X is halogen. In Formula (XX) R30 is —C(OH)R1R2 or —COOR14, wherein R1, R2 and R14 are independently hydrogen, an aliphatic group with a main chain having 1 to about 20 carbon atoms, an alicyclic group, an aromatic group, an arylaliphatic group or an arylalicyclic group, comprising 0 to about 3 heteroatoms independently selected from the group consisting of N, O, S, Se and Si.

Hexahydropyrrolo [2,3-b]indoles: A new class of structurally rigid tricyclic skeleton for oxazaborolidine-catalyzed asymmetric borane reduction

Xiao, Jian,Wong, Zhen Zhou,Lu, Yun Peng,Loh, Teck Peng

supporting information; experimental part, p. 1107 - 1112 (2010/07/03)

A new class of structurally rigid tricyclic chiral ligands based on the hexahydropyrrolo [2,3b]indole skeleton has been rationally designed and the catalytic abilities in asymmetric catalysis have been shown in the enantioselective borane reduction of prochiral ketones to afford the chiral alcohols in excellent yields and high enantioselectivities (up to 97% ee).

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