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3-HYDROXYPHENETHYL ALCOHOL, also known as 2-(3-hydroxyphenyl)ethanol, is an organic compound with a hydroxyl group attached to a phenyl ring. It has been studied for its inelastic electron tunneling (IET) spectra, which provides insights into its molecular structure and properties.

13398-94-2

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13398-94-2 Usage

Uses

Used in Chemical Research:
3-HYDROXYPHENETHYL ALCOHOL is used as a research compound for studying its inelastic electron tunneling (IET) spectra, which helps in understanding its molecular structure and properties.

Check Digit Verification of cas no

The CAS Registry Mumber 13398-94-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,3,9 and 8 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 13398-94:
(7*1)+(6*3)+(5*3)+(4*9)+(3*8)+(2*9)+(1*4)=122
122 % 10 = 2
So 13398-94-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H2

13398-94-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(2-Hydroxyethyl)phenol

1.2 Other means of identification

Product number -
Other names Benzeneethanol, 3-hydroxy-

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:13398-94-2 SDS

13398-94-2Relevant academic research and scientific papers

The influence of key residues in the tunnel entrance and the active site on activity and selectivity of toluene-4-monooxygenase

Brouk, Moran,Derry, Netta-Lee,Shainsky, Janna,Zelas, Zohar Ben-Barak,Boyko, Yulia,Dabush, Keren,Fishman, Ayelet

, p. 72 - 80 (2010)

Site-directed saturation mutagenesis is a convenient method to fine tune enzyme activity and selectivity at known "hot spots". The objective of this work was to investigate the influence of mutations in the tunnel entrance of toluene 4-monooxygenase (T4MO

BIFUNCTIONAL COMPOUNDS

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Page/Page column 51; 85, (2021/05/07)

The invention provides a bifunctional compound of formula (I), or a pharmaceutically acceptable salt thereof, wherein said Targeting Ligand, Linker and Degron are as described herein.

1-(1-Arylethylpiperidin-4-yl)thymine analogs as antimycobacterial TMPK inhibitors

Boshoff, Helena I. M.,Caljon, Guy,Forbes, He Eun,Hulpia, Fabian,Jian, Yanlin,Munier-Lehmann, Hélène,Risseeuw, Martijn D. P.,van Calenbergh, Serge

, (2020/07/07)

A series of Mycobacterium tuberculosis TMPK (MtbTMPK) inhibitors based on a reported compound 3 were synthesized and evaluated for their capacity to inhibit MtbTMPK catalytic activity and the growth of a virulent M. tuberculosis strain (H37Rv). Modifications of the scaffold of 3 failed to afford substantial improvements in MtbTMPK inhibitory activity and antimycobacterial activity. Optimization of the substitution pattern of the D ring of 3 resulted in compound 21j with improved MtbTMPK inhibitory potency (three-fold) and H37Rv growth inhibitory activity (two-fold). Moving the 3-chloro substituent of 21j to the para-position afforded isomer 21h, which, despite a 10-fold increase in IC50-value, displayed promising whole cell activity (minimum inhibitory concentration (MIC) = 12.5 μM).

Synthesis of high added value compounds through catalytic oxidation of 2-phenylethanol: A Kinetic study

Ben Hmida, Rania,Frikha, Nourzed,Bouguerra Neji, Soumaya,Kit, Geoffrey,Medina, Francisco,Bouaziz, Mohamed

, p. 124 - 133 (2019/12/03)

An effective procedure was developed to produce high-value added phenolic compounds through the conversion of 2-phenylethanol (2-PhEt) by using acid-activated clays KSF for the hydrogen peroxide. Owing to KSF's ability to catalyze a variety of complex oxi

Improving process conditions of hydroxytyrosol synthesis by toluene-4-monooxygenase

Brouk, Moran,Fishman, Ayelet

, p. 121 - 127 (2012/11/07)

Toluene-4-monooxygenase from Pseudomonas mendocina KR1 was recently engineered for the synthesis of hydroxytyrosol, a potent antioxidant. Following a 190-fold improvement in the enzyme activity by protein engineering means, improving the process conditions of this biocatalytic route was under taken for developing a liter-scale bioprocess. The growth stage was improved by selection of a rich media and harvesting the cells at the end of the logarithmic stage. The biotransformation stage was optimized by evaluating substrate concentration, cell density, and different operational modes. It was found that although reusing the cells in successive batch modes is feasible, their activity is dramatically decreased after the first use. In comparison, the activity of the cells following subsequent substrate addition in a fed batch mode was only slightly decreased. Furthermore, a better yield was obtained by extending the duration of the biotransformation stage, rather than adding more substrate. An overall concentration of 133 mg/L HTyr, corresponding to a volumetric productivity of 54 mg/L/h and a yield of 48% was achieved by a batch mode using 2 mM substrate. This is an order of magnitude improvement compared with the enzyme productivity before the process optimization. The use of beads conjugated with phenylboronic acid residues for adsorbing the product from the biotransformation bulk was evaluated. Though the recovery yield and purity were shown to be oppositely dependent, an average recovery procedure led to 2-fold purification of HTyr resulting in 84% purity with 70% recovery yield.

1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy

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Page/Page column 15, (2008/12/06)

The invention concerns 3,5-dioxo-(2H,4H)-1,2,4-triazine derivatives of general formula (I), wherein: R1 and R2, identical or different, represent a branched or linear C1-C7 alkyl or alkenyl radical, a C1/s

FURAN-2-CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF

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Page/Page column 10, (2010/11/30)

This invention relates to a furan-2-carboxylic acid derivative capable of activating AMP-activated protein kinase (AMPK), which is useful for the prevention and treatment of metabolic syndromes including diabete, obesity, hyperlipidemia, hypercholesterole

PYRROLE DERIVATIVE

-

Page 68, (2010/02/06)

A novel pyrrole derivative represented by the following formula (1) and a salt thereof: wherein R1 means substituted alkenyl, etc.; R2 means substituted benzoyl, etc.; and R3 to R5 each means hydrogen, alkyl, halogeno, etc. The derivative and salt have antidiabetic activity.

Selective ortho-cleavage of methoxymethyl- and 4-methoxybenzyl ethers

Keith, John M.

, p. 2739 - 2742 (2007/10/03)

Iodine in methanol has been found to be an effective catalyst system for the cleavage of alkoxymethyl ethers. This catalyst system is particularly useful for the selective removal of ortho-methoxymethyl- and ortho-(4-methoxybenzyl) ethers in the presence

One-pot synthesis of 6-hydroxyisochromans: The example of demethyl-oxa-coclaurine

Guiso, Marcella,Bianco, Armandodoriano,Marra, Carolina,Cavarischia, Claudia

, p. 3407 - 3411 (2007/10/03)

Using a modified oxa-Pictet Spengler reaction that we recently described, we synthesized 6-hydroxy-isochromans and their 7-hydroxy derivatives. The successful one step synthesis did not require protecting groups and provided high yields. The obtainment of 1-(4′ -hydroxybenzyl)-6,7-dihydroxyisochroman (1) indicates that this protocol can be used to synthesize oxygenated analogues of benzyl-tetrahydroisoquinoline alkaloids, such as demethyl-coclaurine (2). This methodology could provide a general procedure for the synthesis of hydroxyisochromans. Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003.

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