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2-Octyn-1-ol is a clear, colorless to slightly yellow liquid with chemical properties that make it a potential descriptor for toxicity prediction through electrophilicity. It is also a naturally occurring compound found in Ixora pavetta Vahl, a small tree with various medicinal applications.

20739-58-6

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20739-58-6 Usage

Uses

Used in Toxicity Prediction:
2-Octyn-1-ol is used as a descriptor for toxicity prediction through its electrophilic properties, which can help in assessing the potential hazards of certain chemicals or compounds.
Used in Pharmaceutical Applications:
2-Octyn-1-ol is used in the treatment of various medical conditions such as diarrhea, dysentery, urinary disorders, leukorrhea, vernal diseases, and as a sedative. This is due to its presence in Ixora pavetta Vahl, a small tree with medicinal properties.
Used in Environmental Applications:
2-Octyn-1-ol, being a naturally occurring compound, may also have potential applications in environmental science, particularly in the study of plant chemistry and its interaction with the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 20739-58-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,0,7,3 and 9 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 20739-58:
(7*2)+(6*0)+(5*7)+(4*3)+(3*9)+(2*5)+(1*8)=106
106 % 10 = 6
So 20739-58-6 is a valid CAS Registry Number.
InChI:InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-5,8H2,1H3

20739-58-6 Well-known Company Product Price

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  • (Code)Product description
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  • Alfa Aesar

  • (L05596)  2-Octyn-1-ol, 98%   

  • 20739-58-6

  • 10g

  • 795.0CNY

  • Detail
  • Alfa Aesar

  • (L05596)  2-Octyn-1-ol, 98%   

  • 20739-58-6

  • 50g

  • 3321.0CNY

  • Detail
  • Aldrich

  • (630837)  2-Octyn-1-ol  97%

  • 20739-58-6

  • 630837-5G

  • 436.41CNY

  • Detail

20739-58-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name oct-2-yn-1-ol

1.2 Other means of identification

Product number -
Other names 3-Pentyl-propargylalkohol

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:20739-58-6 SDS

20739-58-6Relevant academic research and scientific papers

Transmetallation from aluminum to tin: A facile preparation of tributylstannylprop-2-en-1-ols

Havranek, Miroslav,Dvorak, Dalimil

, p. 1264 - 1268 (1998)

3-Substituted 3-tributylstannylprop-2-en-1-ols 2 can be efficiently prepared by hydroalumination of 3-substituted propargyl alcohols 1 with LiAlH4 and subsequent transmetallation to tin employing Bu3SnOMe instead of the commonly used Bu3SnOTf or Bu3SnCl.

Synthesis of deuterated γ-linolenic acid and application for biological studies: Metabolic tuning and Raman imaging

Dodo, Kosuke,Sato, Ayato,Tamura, Yuki,Egoshi, Syusuke,Fujiwara, Koichi,Oonuma, Kana,Nakao, Shuhei,Terayama, Naoki,Sodeoka, Mikiko

supporting information, p. 2180 - 2183 (2021/03/09)

γ-Linolenic acid (GLA) is reported to show tumor-selective cytotoxicity through unidentified mechanisms. Here, to assess the involvement of oxidized metabolites of GLA, we synthesized several deuterated GLAs and evaluated their metabolism and cytotoxicity towards normal human fibroblast WI-38 cells and VA-13 tumor cells generated from WI-38 by transformation with SV40 virus. Deuteration of GLA suppressed both metabolism and cytotoxicity towards WI-38 cells and increased the selectivity for VA-13 cells. Fully deuterated GLA was visualized by Raman imaging, which indicated that GLA is accumulated in intracellular lipid droplets of VA-13 cells. Our results suggest the tumor-selective cytotoxicity is due to GLA itself, not its oxidized metabolites. This journal is

Chemoselective Oxidation of p-Methoxybenzyl Ethers by an Electronically Tuned Nitroxyl Radical Catalyst

Hamada, Shohei,Sugimoto, Koichi,Elboray, Elghareeb E.,Kawabata, Takeo,Furuta, Takumi

supporting information, p. 5486 - 5490 (2020/07/24)

The oxidation of p-methoxy benzyl (PMB) ethers was achieved using nitroxyl radical catalyst 1, which contains electron-withdrawing ester groups adjacent to the nitroxyl group. The oxidative deprotection of the PMB moieties on the hydroxy groups was observed upon treatment of 1 with 1 equiv of the co-oxidant phenyl iodonium bis(trifluoroacetate) (PIFA). The corresponding carbonyl compounds were obtained by treating the PMB-protected alcohols with 1 and an excess of PIFA.

Chemoselective Hydroboration of Propargylic Alcohols and Amines Using a Manganese(II) Catalyst

Brzozowska, Aleksandra,Zubar, Viktoriia,Ganardi, Ruth-Christine,Rueping, Magnus

supporting information, p. 3765 - 3769 (2020/04/15)

The first manganese-catalyzed hydroboration of propargylic alcohols and amines as well as internal alkynes is reported. High regio- and stereoselectivity is achieved by applying 2 mol % of a manganese precatalyst based on the readily accessible bis(imino)pyridine ligand and MnCl2 as metal source. Propargylic alcohols and amines, as well as symmetric internal alkynes, were efficiently converted into the corresponding functionalized alkenes, which can serve as important and valuable intermediates for further synthetic applications such as cross-coupling reactions.

Synthesis of solandelactone F, constanolactone A and an advanced intermediate towards solandelactone e from a common synthetic intermediate

Yalla, Raju,Raghavan, Sadagopan

, p. 4572 - 4592 (2019/05/16)

The stereoselective synthesis of solandelactone F, constanolactone A and an advanced intermediate towards solandelactone E, from a common synthetic intermediate, is disclosed. The propargylic sulfide stereocenter is created stereoselectively via carbon-carbon bond formation in the reaction of α-chloro sulfides with alkynylzinc reagents via 1,2-asymmetric induction by a β-siloxy group. The characteristic 1,4-diol motif of the natural products is introduced by a [2,3] sigmatropic rearrangement of an allylic sulfoxide or by the Mislow-Evans-Braverman rearrangement of a propargylic sulfoxide followed by stereoselective reduction of the ensuing α,β-unsaturated ketone. Unlike earlier reports, the C11/C9 carbinol center is created with excellent stereocontrol and derivatives of natural products differing at C14/C12 can be readily obtained. Catalytic asymmetric protocols and substrate-controlled asymmetric induction are utilized for the efficient introduction of the stereogenic centers.

Catalyst-Free Annulation of 2-Pyridylacetates and Ynals with Molecular Oxygen: An Access to 3-Acylated Indolizines

Chen, Zhengwang,Liang, Pei,Ma, Xiaoyue,Luo, Haiqing,Xu, Guohai,Liu, Tanggao,Wen, Xiaowei,Zheng, Jing,Ye, Hui

supporting information, p. 1630 - 1639 (2019/01/26)

A catalyst and additive-free annulation of 2-pyridylacetates and ynals under molecular oxygen was the first developed, affording 3-acylated indolizines in good to excellent yields. Molecular oxygen was used as the source of the carbonyl oxygen atom in indolizines. This approach was compatible with a wide range of functional groups, and especially it has been successfully extended to unsaturated double bonds and triple bonds, which were difficult to prepare by previous methods in a single step.

Enantioselective Rhodium-Catalyzed Dimerization of ω-Allenyl Carboxylic Acids: Straightforward Synthesis of C2-Symmetric Macrodiolides

Steib, Philip,Breit, Bernhard

supporting information, p. 6572 - 6576 (2018/05/08)

Herein, we report on the first enantioselective and atom-efficient catalytic one-step dimerization method to selectively transform ω-allenyl carboxylic acids into C2-symmetric 14- to 28-membered bismacrolactones (macrodiolides). This convenient asymmetric access serves as an attractive route towards multiple naturally occuring homodimeric macrocyclic scaffolds and demonstrates excellent efficiency to construct the complex, symmetric core structures. By utilizing a rhodium catalyst with a modified chiral cyclopentylidene-diop ligand, the desired diolides were obtained in good to high yields, high diastereoselectivity, and excellent enantioselectivity.

Synthesizing method of loopworm sex pheromone and intermediate thereof

-

Paragraph 0048; 0049, (2019/01/11)

The invention discloses a synthesizing method of loopworm sex pheromone and an intermediate thereof. The synthesizing method comprises the following steps of using propargyl alcohol and halogenated hydrocarbon as the starting raw materials, and sequential

Impaired energy processing disorders and mitochondrial deficiency

-

Page/Page column 49, (2018/09/14)

Some aspects of the invention provide for a method of treating Impaired Energy Processing Disorders and Mitochondrial Deficiencies using polyunsaturated fatty acids which are modified in certain positions to attenuate oxidative damage by Reactive Oxygen Species (ROS) and/or suppress the rate of formation of reactive products and toxic compounds.

Stereoselective Synthesis of Exocyclic Tetrasubstituted Vinyl Halides via Ru-Catalyzed Halotropic Cycloisomerization of 1,6-Haloenynes

Trost, Barry M.,Kalnmals, Christopher A.

supporting information, p. 2346 - 2349 (2017/05/12)

Herein, a ruthenium-catalyzed cycloisomerization that transforms 1,6-haloenynes into 5-membered carbo- and heterocycles that bear exocyclic, stereodefined, tetrasubstituted vinyl halides is reported. The reaction is insensitive to air and water, tolerates a variety of functional groups, and proceeds with good to excellent stereoselectivity and yield.

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