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1'-(hydroxymethyl)eugenol is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

31706-95-3

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31706-95-3 Usage

Natural occurrence

Found in plants such as cloves and nutmeg

Usage

Flavoring agent in food and beverages

Aroma

Sweet and spicy

Antimicrobial properties

Exhibits antimicrobial activity against various microorganisms

Antioxidant properties

Acts as a natural antioxidant

Applications

Potentially beneficial in herbal remedies and pharmaceutical formulations

Chemical structure

Benzene ring with a methoxy group, an allyl group, and a hydroxymethyl group attached

Health benefits

Unique properties may contribute to various health benefits

Solubility

Soluble in organic solvents such as ethanol and methanol

Stability

Relatively stable under normal storage conditions

Safety

Generally recognized as safe (GRAS) by the US FDA for use as a flavoring agent in the food industry

Limitations

May cause allergic reactions or irritation in some individuals

Extraction methods

Obtained from plant sources through steam distillation or solvent extraction

Purity

Purity levels can vary depending on the extraction method and source material

Check Digit Verification of cas no

The CAS Registry Mumber 31706-95-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,1,7,0 and 6 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 31706-95:
(7*3)+(6*1)+(5*7)+(4*0)+(3*6)+(2*9)+(1*5)=103
103 % 10 = 3
So 31706-95-3 is a valid CAS Registry Number.
InChI:InChI=1/C11H14O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h4-7,9,12H,1H2,2-3H3

31706-95-3SDS

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 1-(3,4-dimethoxyphenyl)prop-2-en-1-ol

1.2 Other means of identification

Product number -
Other names (+/-)-1-(3',4'-dimethoxyphenyl)prop-2-en-1-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:31706-95-3 SDS

31706-95-3Relevant academic research and scientific papers

Studies directed toward the synthesis of hedycoropyrans: total synthesis of des-hydroxy (?)-hedycoropyran B (ent-rhoiptelol B)

Kataria, Priyanka,Nomula, Rajesh,Kontham, Ravindar

, p. 444 - 463 (2022/01/20)

A full account of our efforts directed towards the synthesis of the diarylheptanoid-derived natural products hedycoropyrans that led to the total synthesis of ent-rhoiptelol B is described. In this endeavor, we have attempted two distinct synthetic strategies to access hedycoropyrans A and B, which led us to establish a facile synthetic route for des-hydroxy (?)-hedycoropyran B (ent-rhoiptelol B) from simple and readily accessible building blocks of 4-allylanisole and vanillin, employing Sharpless asymmetric epoxidation, CBS reduction, and an intramolecular AgOTf-catalyzed oxa-Michael reaction of suitably functionalized hydroxy-ynone as key transformations. The investigations disclosed herein will provide insights into designing novel synthetic routes for THP-DAH-derived natural products.

Laccase-catalyzed oxidation of allylbenzene derivatives: Towards a green equivalent of ozonolysis

Antoniotti, Sylvain,Blerot, Bernard,Chietera, Giorgiana,Lecourt, Mathilde

supporting information, (2021/10/19)

Laccase-based biocatalytic reactions have been tested with and without mediators and optimized in the oxidation of allylbenzene derivatives, such as methyl eugenol taken as a model substrate. The reaction primarily consisted in the hydroxylation of the propenyl side chain, either upon isomerization of the double bond or not. Two pathways were then observed; oxidation of both allylic alcohol intermediates could either lead to the corresponding α,β-unsaturated carbonyl com-pound, or the corresponding benzaldehyde derivative by oxidative cleavage. Such a process consti-tutes a green equivalent of ozonolysis or other dangerous or waste-generating oxidation reactions. The conversion rate was sensitive to the substitution patterns of the benzenic ring and subsequent electronic effects.

Iridium-Catalyzed Asymmetric Allylic Alkylation of Deconjugated Butyrolactams

Mitra, Sankash,Mukherjee, Santanu

supporting information, p. 3021 - 3026 (2021/05/04)

Compared with the ever-growing list of nonprochiral nucleophiles in Ir-catalyzed asymmetric allylic substitution reactions, prochiral nucleophiles are less studied. We present a new prochiral nucleophile, namely, deconjugated butyrolactam, for Ir-catalyze

[Pd]-Catalyzedpara-selective allylation of phenols: access to 4-[(E)-3-aryl/alkylprop-2-enyl]phenols

Chinnabattigalla, Sreenivasulu,Choudhury, Aditya,Gedu, Satyanarayana

supporting information, p. 8259 - 8263 (2021/10/12)

4-[(E)-3-Arylprop-2-enyl]phenols are omnipresent scaffolds and constitute natural products and biologically significant compounds. Obtusastyrene and obtustyrene are two such phenolic-based natural products isolated fromDalbergia retusa. The development of strategies based on a site-selective allylation, particularly protecting group-free substrates and non-activated coupling agents, is indispensable in organic synthesis. Herein, we present a highly regioselective [Pd]-catalyzedpara-allylation of phenols using simple, inactivated allylic alcohols as allylating coupling partners. Notably, this strategy is successful in open-air and under mild reaction conditions. Besides, the efficacy of the present protocol was demonstrated by the direct synthesis of obtusastyrene and obtustyrene.

Highly efficient kinetic resolution of aryl-alkenyl alcohols by ru-catalyzed hydrogen transfer

Jin, Ming Yu,Tao, Guanyu,Xing, Xiangyou,You, Yipeng

supporting information, (2021/12/24)

No matter through asymmetric reduction of ketones or kinetic resolution of secondary alcohols, enantioselective synthesis of the corresponding secondary alcohols is challenging when the two groups attached to the prochiral or chiral centers are spatially

Allylic and Allenylic Dearomatization of Indoles Promoted by Graphene Oxide by Covalent Grafting Activation Mode

Lombardi, Lorenzo,Bellini, Daniele,Bottoni, Andrea,Calvaresi, Matteo,Monari, Magda,Kovtun, Alessandro,Palermo, Vincenzo,Melucci, Manuela,Bandini, Marco

supporting information, p. 10427 - 10432 (2020/07/24)

The site-selective allylative and allenylative dearomatization of indoles with alcohols was performed under carbocatalytic regime in the presence of graphene oxide (GO, 10 wt percent loading) as the promoter. Metal-free conditions, absence of stoichiometric additive, environmentally friendly conditions (H2O/CH3CN, 55 °C, 6 h), broad substrate scope (33 examples, yield up to 92 percent) and excellent site- and stereoselectivity characterize the present methodology. Moreover, a covalent activation model exerted by GO functionalities was corroborated by spectroscopic, experimental and computational evidences. Recovering and regeneration of the GO catalyst through simple acidic treatment was also documented.

Asymmetric Synthesis of γ-Secondary Amino Alcohols via a Borrowing-Hydrogen Cascade

Chang, Xiaoyong,Chen, Fumin,He, Dongxu,Jin, Ming Yu,Pan, Yupeng,Xing, Xiangyou,You, Yipeng

supporting information, p. 7278 - 7283 (2020/10/02)

The borrowing-hydrogen (or hydrogen autotransfer) process, where the catalyst dehydrogenates a substrate and formally transfers the H atom to an unsaturated intermediate, is an atom-efficient and environmentally benign transformation. Described here is an example of an asymmetric borrowing-hydrogen cascade for the formal anti-Markovnikov hydroamination of allyl alcohols to synthesize optically enriched γ-secondary amino alcohols. By exploiting the Ru-(S)-iPrPyme catalyst with minimal stereogenicity, a cascade process including dehydrogenation, conjugate addition, and asymmetric reduction was developed. The mild conditions, functional group tolerance, and broad substrate scope (54 examples) demonstrate the synthetic practicality of the catalytic system.

1,3-Dioxa-[3,3]-sigmatropic Oxo-Rearrangement of Substituted Allylic Carbamates: Scope and Mechanistic Studies

Agirre, Maddalen,Henrion, Sylvain,Rivilla, Ivan,Miranda, José I.,Cossío, Fernando P.,Carboni, Bertrand,Villalgordo, José M.,Carreaux, Fran?ois

, p. 14861 - 14881 (2019/01/04)

An unexpected 1,3-dioxa-[3,3]-sigmatropic rearrangement during the treatment of aryl- and alkenyl-substituted allylic alcohols with activated isocyanates is reported. The reorganization of bonds is highly dependent on the electron density of the aromatic

Isothiourea-Catalysed Acylative Kinetic Resolution of Aryl–Alkenyl (sp2vs. sp2) Substituted Secondary Alcohols

Musolino, Stefania F.,Ojo, O. Stephen,Westwood, Nicholas J.,Taylor, James E.,Smith, Andrew D.

supporting information, p. 18916 - 18922 (2016/12/26)

The non-enzymatic acylative kinetic resolution of challenging aryl–alkenyl (sp2vs. sp2) substituted secondary alcohols is described, with effective enantiodiscrimination achieved using the isothiourea organocatalyst HyperBTM (1 mol %) and isobutyric anhydride. The kinetic resolution of a wide range of aryl–alkenyl substituted alcohols has been evaluated, with either electron-rich or naphthyl aryl substituents in combination with an unsubstituted vinyl substituent providing the highest selectivity (S=2–1980). The use of this protocol for the gram-scale (2.5 g) kinetic resolution of a model aryl–vinyl (sp2vs. sp2) substituted secondary alcohol is demonstrated, giving access to >1 g of each of the product enantiomers both in 99:1 e.r.

The synthesis and analysis of lignin-bound Hibbert ketone structures in technical lignins

Miles-Barrett, Daniel M.,Neal, Andrew R.,Hand, Calum,Montgomery, James R.D.,Panovic, Isabella,Ojo, O. Stephen,Lancefield, Christopher S.,Cordes, David B.,Slawin, Alexandra M.Z.,Lebl, Tomas,Westwood, Nicholas J.

supporting information, p. 10023 - 10030 (2016/11/06)

Understanding the structure of technical lignins resulting from acid-catalysed treatment of lignocellulosic biomass is important for their future applications. Here we report an investigation into the fate of lignin under acidic aqueous organosolv conditions. In particular we examine in detail the formation and reactivity of non-native Hibbert ketone structures found in isolated organosolv lignins from both Douglas fir and beech woods. Through the use of model compounds combined with HSQC, HMBC and HSQC-TOCSY NMR experiments we demonstrate that, depending on the lignin source, both S and G lignin-bound Hibbert ketone units can be present. We also show that these units can serve as a source of novel mono-aromatic compounds following an additional lignin depolymerisation reaction.

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