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E-4-Hexen-1-ol, also known as leaf alcohol, is an organic compound with a pungent oily odor. It is a colorless to pale yellow liquid and is one of the most abundant green leaf volatiles found in nature. It is synthesized by treating cisand trans-3-chloro-2-methyl-tetrahydropyrone with sodium in ether.

6126-50-7

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6126-50-7 Usage

Uses

Used in Flavor and Fragrance Industry:
E-4-Hexen-1-ol is used as a flavor compound for its green, tomato, and fresh herbal vegetable taste characteristics at 20 ppm. It is commonly found in the cisand trans-forms in banana and the cis-form in passion fruit. It is also reported in beans, butter, and olive.
Used in Chemical Synthesis:
E-4-Hexen-1-ol is used as a starting material in the synthesis of various chemicals, such as other volatile organic compounds and fragrances.
Used in Research:
E-4-Hexen-1-ol is used in research to study the chemical properties and behavior of green leaf volatiles, as well as their role in the flavor and fragrance industry.
Used in Environmental Applications:
E-4-Hexen-1-ol can be used as a biomarker for the detection of plant stress and environmental changes, as it is released by plants in response to various stressors, such as herbivory or mechanical damage.
Used in Cosmetics and Personal Care Products:
E-4-Hexen-1-ol can be used as a fragrance ingredient in cosmetics and personal care products, providing a natural and fresh scent.

Preparation

By treating cis- and trans-3-chloro-2-methyl-tetrahydropyrone with sodium in ether.

Check Digit Verification of cas no

The CAS Registry Mumber 6126-50-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,1,2 and 6 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 6126-50:
(6*6)+(5*1)+(4*2)+(3*6)+(2*5)+(1*0)=77
77 % 10 = 7
So 6126-50-7 is a valid CAS Registry Number.
InChI:InChI=1/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2-

6126-50-7SDS

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 hex-4-en-1-ol

1.2 Other means of identification

Product number -
Other names 4-Hexen-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:6126-50-7 SDS

6126-50-7Relevant academic research and scientific papers

Cobalt-Catalyzed Intermolecular Hydrofunctionalization of Alkenes: Evidence for a Bimetallic Pathway

Zhou, Xiao-Le,Yang, Fan,Sun, Han-Li,Yin, Yun-Nian,Ye, Wei-Ting,Zhu, Rong

supporting information, p. 7250 - 7255 (2019/05/16)

A functional group tolerant cobalt-catalyzed method for the intermolecular hydrofunctionalization of alkenes with oxygen- and nitrogen-based nucleophiles is reported. This protocol features a strategic use of hypervalent iodine(III) reagents that enables a mechanistic shift from conventional cobalt-hydride catalysis. Key evidence was found supporting a unique bimetallic-mediated rate-limiting step involving two distinct cobalt(III) species, from which a new carbon-heteroatom bond is formed.

Total Synthesis and Biological Evaluation of Siladenoserinol A and its Analogues

Yoshida, Masahito,Saito, Koya,Kato, Hikaru,Tsukamoto, Sachiko,Doi, Takayuki

supporting information, p. 5147 - 5150 (2018/03/26)

The total synthesis of siladenoserinol A, an inhibitor of the p53–Hdm2 interaction, has been achieved. AuCl3-catalyzed hydroalkoxylation of an alkynoate derivative smoothly and regioselectively proceeded to afford a bicycloketal in excellent yield. A glycerophosphocholine moiety was successfully introduced through the Horner–Wadsworth–Emmons reaction using an originally developed phosphonoacetate derivative. Finally, removal of the acid-labile protecting groups, followed by regioselective sulfamate formation of the serinol moiety afforded the desired siladenoserinol A, and benzoyl and desulfamated analogues were also successfully synthesized. Biological evaluation showed that the sulfamate is essential for biological activity, and modification of the acyl group on the bicycloketal can improve the inhibitory activity against the p53–Hdm2 interaction.

Rhenium-catalyzed deoxydehydration of renewable triols derived from sugars

Wozniak, Bartosz,Li, Yuehui,Tin, Sergey,De Vries, Johannes G.

supporting information, p. 4433 - 4437 (2018/10/17)

An efficient method for the catalytic deoxydehydration of renewable triols, including those obtained from 5-HMF, is described. The corresponding unsaturated alcohols were obtained in good yields using simple rhenium(vii)oxide under neat conditions and ambient atmosphere at 165 °C.

Pd(II)-Catalyzed [4 + 2] Heterocyclization Sequence for Polyheterocycle Generation

Glaisyer, Elizabeth L.,Watt, Michael S.,Booker-Milburn, Kevin I.

supporting information, p. 5877 - 5880 (2018/09/25)

A new Pd(II)-catalyzed cascade sequence for the formation of polyheterocycles, from simple starting materials, is reported. The sequence is applicable to both indole and pyrrole substrates, and a range of substituents are tolerated. The reaction is thought to proceed by a Pd(II)-catalyzed C-H activated Heck reaction followed by a second Pd(II)-catalyzed aza-Wacker reaction with two Cu(II)-mediated Pd(0) turnovers per sequence. The sequence can be considered a formal [4 + 2] heterocyclization.

Reactions of 2-Methyltetrahydropyran on Silica-Supported Nickel Phosphide in Comparison with 2-Methyltetrahydrofuran

Bui, Phuong P.,Oyama, S. Ted,Takagaki, Atsushi,Carrow, Brad P.,Nozaki, Kyoko

, p. 4549 - 4558 (2016/07/12)

The reactions of 2-methyltetrahydropyran (2-MTHP, C6H12O) on Ni2P/SiO2 provide insights on the interactions between a cyclic ether, an abundant component of biomass feedstock, with a transition-metal phosphide, an effective hydrotreating catalyst. At atmospheric pressure and a low contact time, conditions similar to those of a fast pyrolysis process, 70% of products formed from the reaction of 2-MTHP on Ni2P/SiO2 were deoxygenated products, 2-hexene and 2-pentenes, indicating a good oxygen removal capacity. Deprotonation, hydrogenolysis, dehydration, and decarbonylation were the main reaction routes. The reaction sequence started with the adsorption of 2-MTHP, followed by ring-opening steps on either the methyl substituted side (Path I) or the unsubstituted side (Path II) to produce adsorbed alkoxide species. In Path I, a primary alkoxide was oxidized at the α-carbon to produce an aldehyde, which subsequently underwent decarbonylation to 2-pentenes. The primary alkoxide could also be protonated to give a primary alcohol which could desorb or form the final product 2-hexene. In Path II, a secondary alkoxide was oxidized to produce a ketone or was protonated to a secondary alcohol that was dehydrated to give 2-hexene. The active sites for the adsorption of 2-MTHP and O-intermediates were likely to be Ni sites.

On the Functional Group Tolerance of Ester Hydrogenation and Polyester Depolymerisation Catalysed by Ruthenium Complexes of Tridentate Aminophosphine Ligands

Fuentes, José A.,Smith, Samuel M.,Scharbert, M. Theresa,Carpenter, Ian,Cordes, David B.,Slawin, Alexandra M. Z.,Clarke, Matthew L.

supporting information, p. 10851 - 10869 (2015/07/20)

The synthesis of a range of phosphine-diamine, phosphine-amino-alcohol, and phosphine-amino-amide ligands and their ruthenium(II) complexes are reported. Five of these were characterised by X-ray crystallography. The activities of this collection of catalysts were initially compared for the hydrogenation of two model ester hydrogenations. Catalyst turnover frequencies up to 2400 h-1 were observed at 85 °C. However, turnover is slow at near ambient temperatures. By using a phosphine-diamine RuII complex, identified as the most active catalyst, a range of aromatic esters were reduced in high yield. The hydrogenation of alkene-, diene-, and alkyne-functionalised esters was also studied. Substrates with a remote, but reactive terminal alkene substituent could be reduced chemoselectively in the presence of 4-dimethylaminopyridine (DMAP) co-catalyst. The chemoselective reduction of the ester function in conjugated dienoate ethyl sorbate could deliver (2E,4E)-hexa-2,4-dien-1-ol, a precursor to leaf alcohol. The monounsaturated alcohol (E)-hex-4-en-1-ol was produced with reasonable selectivity, but complete chemoselectivity of C=O over the diene is elusive. High chemoselectivity for the reduction of an ester over an alkyne group was observed in the hydrogenation of an alkynoate for the first time. The catalysts were also active in the depolymerisation reduction of samples of waste poly(ethylene terephthalate) (PET) to produce benzene dimethanol. These depolymerisations were found to be poisoned by the ethylene glycol side product, although good yields could still be achieved. A simple catalyst for difficult reductions: Ruthenium complexes of P,N,N and P,N,O ligands catalyse the reduction of esters with high activities. The Ru complex of a phosphine-diamine ligand (see scheme) has been found to be a good catalyst for reducing alkene-, diene-, and alkyne-functionalised esters, displaying good activity and chemoselectivity. This catalyst was also active in the hydrogenation of waste poly(ethylene terephthalate) (PET).

Highly functionalized and potent antiviral cyclopentane derivatives formed by a tandem process consisting of organometallic, transition-metal-catalyzed, and radical reaction steps

Jagtap, Pratap R.,Ford, Leigh,Deister, Elmar,Pohl, Radek,Cisarova, Ivana,Hodek, Jan,Weber, Jan,Mackman, Richard,Bahador, Gina,Jahn, Ullrich

supporting information, p. 10298 - 10304 (2014/08/18)

A simple modular tandem approach to multiply substituted cyclopentane derivatives is reported, which succeeds by joining organometallic addition, conjugate addition, radical cyclization, and oxygenation steps. The key steps enabling this tandem process are the thus far rarely used isomerization of allylic alkoxides to enolates and single-electron transfer to merge the organometallic step with the radical and oxygenation chemistry. This controlled lineup of multiple electronically contrasting reactive intermediates provides versatile access to highly functionalized cyclopentane derivatives from very simple and readily available commodity precursors. The antiviral activity of the synthesized compounds was screened and a number of compounds showed potent activity against hepatitisC and dengue viruses.

Iron(III) chloride-benzotriazole adducts with trigonal bipyramidal geometry: Spectroscopic, structural and catalytic studies

Anastasiadis, Nikolaos C.,Bilis, George,Plakatouras, John C.,Raptopoulou, Catherine P.,Psycharis, Vassilis,Beavers, Christine,Teat, Simon J.,Louloudi, Maria,Perlepes, Spyros P.

, p. 189 - 202 (2013/10/08)

The reactions of FeCl3 with benzotriazole (btaH), 1-methylbenzotriazole (Mebta), 5,6-dimethylbenzotriazole (5,6Me2btaH) and 5-chlorobenzotriazole (5ClbtaH) were studied in non-polar solvents. The new solid complexes [FeCl3(btaH)2] (1), [FeCl 3(Mebta)2] (2), [FeCl3(5,6Me 2btaH)2] (3) and [FeCl3(5ClbtaH) 2]·2(5ClbtaH) (4) have been isolated. The structures of the complexes have been determined by single-crystal, X-ray crystallography. The structures of 1-4 consist of mononuclear, high-spin 5-coordinate molecules; in addition, the crystal structure of 4 contains two lattice 5ClbtaH molecules per [FeCl3(5ClbtaH)2] unit. The coordinated benzotriazole molecules behave as monodentate ligands with their ligated atom being the nitrogen of the position 3 of the azole ring. The geometry at iron(III) is trigonal bipyramidal with the chlorido ligands occupying the equatorial sites. The crystal structures of the complexes are stabilized by stacking interactions and H bonds (for 1, 3 and 4 only). The new complexes were characterized by elemental analyses, magnetic susceptibilities at room temperature and spectroscopic (IR, far-IR, solid-state electronic UV/VIS/near-IR, 57Fe-Mo?ssbauer, EPR only for complex 4) methods. All data are discussed in terms of the nature of bonding and the known structures. Complexes 1, 2 and 4 have been tested as homogeneous (MeCN) oxidation catalysts in the presence of the "green" H2O2 oxidant; they display moderate to high catalytic activity in the oxidation of several alkenes, cyclohexane and n-hexane, which is described in detail.

Control of the selectivity in multi-functional group molecules using supported gold-palladium nanoparticles

Alshammari, Hamed,Miedziak, Peter J.,Morgan, David J.,Knight, David W.,Hutchings, Graham J.

, p. 1244 - 1254 (2013/06/26)

The oxidation of 2-hexen-1-ol and 1-hexen-3-ol with air has been studied using supported gold, palladium and gold-palladium catalysts. The main aim was to determine if either the alcohol or alkene functional group can be oxidised selectively. However, based on the reaction products observed (2-hexen-1-ol forms 2-hexene, hexanal, (E)-2-hexenal, (E)-3-hexen-1-ol, 4-hexen-1-ol and (E)-2-hexanoic acid. 1-Hexen-3-ol forms 1-hexene, 3-hexanone, 1-hexen-3-one and 3-hexenol), the main pathway in these reactions is isomerisation and, in addition, significant yields of the products are due to a disproportionation reaction. Controlling the selectivity in molecules with multiple function groups by manipulating the catalyst composition and reaction conditions can promote or hinder the various reaction pathways, thereby increasing the selectivity to the desired oxidation products.

A biocatalytic hydrogenation of carboxylic acids

Ni, Yan,Hagedoorn, Peter-Leon,Xu, Jian-He,Arends, Isabel W. C. E.,Hollmann, Frank

supporting information, p. 12056 - 12058 (2013/01/16)

The hyperthermophile Pyrococcus furiosus catalyses the hydrogenation of a broad range of carboxylic acids selectively to the corresponding primary alcohols. Other functional groups such as isolated CC-double bonds are not touched. The chemoselectivity of the carboxylate reduction may be directed towards aldehydes by simple medium engineering.

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