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1-Hexen-5-yn-3-ol, 1-phenyl-, (1E)- is a chemical compound with the molecular formula C13H14O. It is an organic molecule characterized by a hexen-5-yn-3-ol backbone, which consists of a six-carbon chain with a triple bond between the fifth and sixth carbon atoms, and a hydroxyl group attached to the third carbon. The phenyl group (C6H5) is attached to the first carbon of the hexen-5-yn-3-ol chain, and the double bond (E) configuration indicates the geometric arrangement of the phenyl group relative to the triple bond. 1-Hexen-5-yn-3-ol, 1-phenyl-, (1E)- is known for its unique properties and potential applications in various fields, such as pharmaceuticals and fragrances.

1743-31-3

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1743-31-3 Usage

Class

Alkynols

Contains

Both an alkene and an alkyne group

Type of compound

Unsaturated alcohol

Substituent

Phenyl group attached to the first carbon of the alkene group

Usage

Building block in organic synthesis, particularly in the preparation of pharmaceuticals and other fine chemicals

Studied for

Potential biological and pharmacological activities, including antimicrobial, antioxidant, and anti-inflammatory properties.

Check Digit Verification of cas no

The CAS Registry Mumber 1743-31-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,7,4 and 3 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1743-31:
(6*1)+(5*7)+(4*4)+(3*3)+(2*3)+(1*1)=73
73 % 10 = 3
So 1743-31-3 is a valid CAS Registry Number.

1743-31-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (E)-1-phenyl-1-hexen-5-yn-3-ol

1.2 Other means of identification

Product number -
Other names 1-phenylhex-1-en-5-yn-3-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:1743-31-3 SDS

1743-31-3Relevant academic research and scientific papers

Formal metal-free γ-arylation of 1,3-dicarbonyl compounds: Via an isomerisation/1,4-addition/[3,3]-sigmatropic rearrangement sequence

Guan, Xi-Dong,Lu, Shi-Chao,Wen, Fu-Qiang

supporting information, p. 8964 - 8968 (2021/11/27)

A metal-free redox arylation of alkynes with sulfoxides has been developed to provide unconventional access to diverse γ-arylated 1,3-dicarbonyl compounds in an atom-economical manner. Mechanistic studies suggest that a conjugated allenone intermediate was generated in situ, which solves the problem of reactivity and regioselectivity of unsymmetrical dialkyl-substituted internal alkynes and enables the functionalisation of a broad range of substrates bearing electron-withdrawing functional groups. The resulting arylated 1,3-dicarbonyl compounds are versatile and useful building blocks for further functionalisation. This journal is

One-pot, regioselective synthesis of homopropargyl alcohols using pro-pargyl bromide and carbonyl compound by the mg-mediated reaction under solvent-free conditions

Devaramani, Samrat,Li, Shunxi,Ma, Xiaofang,Xu, Daqian,Zhao, Guohu

supporting information, p. 438 - 442 (2020/04/21)

The elimination of volatile organic solvents in organic synthesis is the most important goal in “Green” chemistry. We report a simple, efficient and facile method for the addition of progargyl bromide to carbonyl compounds using Mg metal as a mediator under solvent-free conditions which could regioselectively generate homopropargyl alcohols efficiently in good to excellent yields. The procedure has advantages such as short reaction time, operationally simple, excellent product yields, high regioselectivity and organic solvent-free.

Optimization of Catalyst Structure for Asymmetric Propargylation of Aldehydes with Allenyltrichlorosilane

Vaganov, Vladimir Yu.,Fukazawa, Yasuaki,Kondratyev, Nikolay S.,Shipilovskikh, Sergei A.,Wheeler, Steven E.,Rubtsov, Aleksandr E.,Malkov, Andrei V.

supporting information, p. 5467 - 5474 (2020/10/19)

The design of catalysts for asymmetric propargylations remains a challenging task, with only a handful of methods providing access to enantioenriched homopropargylic alcohols. In this work, guided by previously reported computational predictions, a set of

Efficient method for propargylation of aldehydes promoted by allenylboron compounds under microwave irradiation

Andrade, Silvia R. C. P.,Freitas, Jucleiton J. R.,Freitas, Juliano C. R.,Freitas, Queila P. S. B.,Menezes, Paulo H.,Oliveira, Roberta A.

supporting information, p. 168 - 174 (2020/03/27)

The propargylation of aldehydes promoted by microwave irradiation using allenylboron compounds in a chemo- and regioselective way is described. The corresponding products were obtained in short reaction time, high yield and purity without the need of any solvent when allenylboronic acid pinacol ester was used, or using a minimal amount of acetone when potassium allenyltrifluoroborate was used.

Asymmetric total synthesis of cryptoconcatone I

Acharyya, Ranjan Kumar,Pal, Pratik,Chatterjee, Shrestha,Nanda, Samik

, p. 3552 - 3566 (2019/04/14)

Asymmetric total synthesis of the naturally occurring cryptoconcatone I, which possesses a γ-Z-butenolide framework, is described here for the first time. Asymmetric propargylation, E-selective cross metathesis, and regioselective reductive epoxide ring o

Synthesis, characterization of active Sn(0), and its application in selective propargylation of aldehyde at room temperature in water

Chatterjee, Paresh Nath,Paul, Dipankar,Sawkmie, Micky Lanster,Sinha, Arun Kumar,Khatua, Snehadrinarayan

supporting information, p. 29 - 36 (2019/01/10)

Active Sn(0) particles are synthesized in high yields by the chemical reduction of the blue-black stannous oxide using freshly prepared sodium stannite solution as reducing agent at 40 °C and 60 °C. The Sn(0) particles are characterized using powder XRD, SEM, and DSC. The as-synthesized Sn(0) particles are applied as reagent for the regioselective synthesis of homopropargyl alcohols from propargyl bromide and aldehydes in distilled water at room temperature (in 50%-84% yields). No assistance of heat, microwave, ultrasound, organic co-solvent, co-reagent, or inert atmosphere is required for this reaction. The propargylation reaction is highly chemoselective towards aldehyde over other less electrophilic carbonyl functional groups such as ketone, amide, and carboxylic acid. Our in-house synthesized homopropargyl alcohols can be used to synthesize conjugated 1,3-diynes.

Mutual Cooperation in the Formal Allyl Alcohol Nucleophilic Substitution and Hydration of Alkynes for the Construction of γ-Substituted Ketones

Huang, Kaimeng,Wang, Hongkai,Liu, Lingyan,Chang, Weixing,Li, Jing

supporting information, p. 6458 - 6465 (2016/05/09)

Mutual cooperation in the formal allyl alcohol nucleophilic substitution reaction and hydration of an alkyne has been utilized in the presence of a gold catalyst to give a series of γ-functionalized ketones with high to excellent yields. This reaction actually involved an intramolecular O-H insertion cyclization of an alkyne to form the dihydrofuran intermediate, which was followed by the nucleophilic addition ring-opening of a dihydrofuran to give the target compound.

Regioselective propargylation of aldehydes using potassium allenyltrifluoroborate promoted by tonsil

Freitas, Jucleiton J.R.,Couto, Tulio R.,Cavalcanti, Italo H.,Freitas, Juliano C.R.,Barbosa, Queila P.S.,Oliveira, Roberta A.

supporting information, p. 760 - 765 (2016/02/05)

The propargylation of aldehydes using potassium allenyltrifluoroborate promoted by tonsil, an inexpensive and readily available clay, in a chemo- and regioselective way is described. The method is simple and avoids the use of air and moisture sensitive organometallics and products were obtained in good to moderate yields.

Propargylation of aldehydes using potassium allenyltrifluoroborate

Couto, Tlio R.,Freitas, Jucleiton J. R.,Freitas, Juliano C. R.,Cavalcanti, Italo H.,Menezes, Paulo H.,Oliveira, Roberta A.

, p. 71 - 78 (2015/02/02)

The commercially available resin Amberlyst A-31 was efficiently used to promote the propargylation of aldehydes using potassium allenyltrifluoroborate. The method is simple and fast, and the products were obtained in short reaction times in high yields and purity at room temperature in a regio- and chemoselective manner.

PtI2-catalyzed cyclization of 3-acyloxy-1,5-enynes with the elimination of HOAc and a benzyl shift: Synthesis of unsymmetrical m-terphenyls

Huang, Kaimeng,Ke, Xiaona,Wang, Hongkai,Wang, Junying,Zhou, Chenchen,Xu, Xiufang,Liu, Lingyan,Li, Jing

supporting information, p. 4486 - 4493 (2015/04/14)

A novel cyclization of 3-acyloxy-1,5-enynes is developed in the presence of PtI2 for the synthesis of substituted unsymmetrical m-terphenyls in good to excellent yields. Two unique steps are involved in this transformation, which includes the elimination of HOAc and benzyl group migration. DFT calculations indicated that the rate-determining step is the migration of the benzylic carbocation to form a zwitterionic intermediate followed by the elimination of HOAc. The subsequent cyclopropanation of the zwitterionic intermediate is the regioselectivity-determining step.

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