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3-Hexyn-1-ol is an unsaturated alcohol characterized by its clear yellow liquid appearance. It is known for its unique chemical properties, which make it a valuable compound in various industries. The stereoselective hydrogenation of 3-Hexyn-1-ol leads to the production of cis-3-Hexen-1-ol, a significant compound in the fragrance industry.

1002-28-4

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1002-28-4 Usage

Uses

Used in Fragrance Industry:
3-Hexyn-1-ol is used as a precursor for cis-3-Hexen-1-ol, which is an important compound in the fragrance industry. The expression is: 3-Hexyn-1-ol is used as a precursor for [production of cis-3-Hexen-1-ol] for [its significance in the fragrance industry].
Used in Antifungal Applications:
3-Hexyn-1-ol exhibits antifungal properties against Aspergillus oryzae, a fungus utilized in the production of fermented foods and beverages in Japan. The expression is: 3-Hexyn-1-ol is used as an antifungal agent for [its effectiveness against Aspergillus oryzae].
Used in Chemical Research:
The stereoselective hydrogenation of 3-Hexyn-1-ol has been studied, with poly(N-vinyl-2-pyrrolidone)-stabilized Pd-nanoclusters demonstrating extraordinary catalytic performance in the selective hydrogenation process. The expression is: 3-Hexyn-1-ol is used as a subject for [stereoselective hydrogenation studies] for [its unique chemical properties and potential applications in various industries].

Synthesis Reference(s)

Tetrahedron Letters, 18, p. 1019, 1977 DOI: 10.1016/S0040-4039(01)92817-5

Check Digit Verification of cas no

The CAS Registry Mumber 1002-28-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,0 and 2 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 1002-28:
(6*1)+(5*0)+(4*0)+(3*2)+(2*2)+(1*8)=24
24 % 10 = 4
So 1002-28-4 is a valid CAS Registry Number.
InChI:InChI=1/C6H10O/c1-2-3-4-5-6-7/h7H,2,5-6H2,1H3

1002-28-4 Well-known Company Product Price

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  • Aldrich

  • (244430)  3-Hexyn-1-ol  98%

  • 1002-28-4

  • 244430-25G

  • 1,198.08CNY

  • Detail

1002-28-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-HEXYN-1-OL

1.2 Other means of identification

Product number -
Other names 3-Hexyn-1-ol 5ML

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:1002-28-4 SDS

1002-28-4Relevant academic research and scientific papers

A convenient high-yield procedure for the β-hydroxyethylation of acetylenes with epoxyethane in liquid ammonia

Verkruijsse,Brandsma

, p. 235 - 237 (1991)

3-Butyn-1-ol and homologues, RC≡CCH2CH2OH (R = H or alkyl), have been obtained in excellent yields from alkynyllithium derivatives, RC≡CLi, and epoxyethane in liquid ammonia.

Antifungal properties of 3-n-alkyn-1-ols and synergism with 2-n-alkyn-1-ols and ketoconazole

Gershon,Jerome,McElwain

, p. 556 - 558 (1985)

Twelve 3-n-alkyn-1-ols (C4-C12, C14, C16, and C18) were tested against Aspergillus oryzae, Aspergillus niger, Trichoderma viride, and Myrothecium verrucaria in Sabouraud dextrose agar at pH 5.6 and 7.0. Toxicity to Candida albicans, Candida tropicalis, Trichophyton mentagrophytes, and Mucor mucedo was determined in the same medium at pH 5.6 and 7.0 in the absence and presence of 10% beef serum. Fungitoxicity was strongly influenced by chain length, slightly by pH of the medium, and significantly but not strongly by the presence of beef serum. 3-n-Decyn-1-ol, 3-n-undecyn-1-ol, and 3-n-dodecyn-1-ol were the most active members of the series. Synergism toward C. albicans and C. tropicalis was observed between 3-n-undecyn-1-ol and ketoconazole, and a mixture of 3-n-undecyn-1-ol, 2-n-undecyn-1-ol, and ketoconazole in Sabouraud dextrose agar at pH 7.0 in the presence of 10% human serum.

Atom-Economical Cross-Coupling of Internal and Terminal Alkynes to Access 1,3-Enynes

Liu, Mingyu,Tang, Tianhua,Apolinar, Omar,Matsuura, Rei,Busacca, Carl A.,Qu, Bo,Fandrick, Daniel R.,Zatolochnaya, Olga V.,Senanayake, Chris H.,Song, Jinhua J.,Engle, Keary M.

supporting information, p. 3881 - 3888 (2021/04/06)

Selective carbon-carbon (C-C) bond formation in chemical synthesis generally requires prefunctionalized building blocks. However, the requisite prefunctionalization steps undermine the overall efficiency of synthetic sequences that rely on such reactions, which is particularly problematic in large-scale applications, such as in the commercial production of pharmaceuticals. Herein, we describe a selective and catalytic method for synthesizing 1,3-enynes without prefunctionalized building blocks. In this transformation several classes of unactivated internal acceptor alkynes can be coupled with terminal donor alkynes to deliver 1,3-enynes in a highly regio- and stereoselective manner. The scope of compatible acceptor alkynes includes propargyl alcohols, (homo)propargyl amine derivatives, and (homo)propargyl carboxamides. This method is facilitated by a tailored P,N-ligand that enables regioselective addition and suppresses secondary E/Z-isomerization of the product. The reaction is scalable and can operate effectively with as low as 0.5 mol % catalyst loading. The products are versatile intermediates that can participate in various downstream transformations. We also present preliminary mechanistic experiments that are consistent with a redox-neutral Pd(II) catalytic cycle.

Synthesis of substituted α-methylene-γ-butyrolactones from chloroformates via palladium catalysed cyclisation-anion capture

Grigg,Savic

, p. 2381 - 2382 (2007/10/03)

Cyclisation of chloroformates onto proximate alkyne functionality in the presence of a Pd(0) catalyst followed by anion capture affords α-methylene-γ-butyrolactone derivatives in moderate to good yields.

A new, highly stereoselective approach to pyrrolidines via overall 5-endo-trig cyclisations of homoallylic tosylamides

Jones, Andrew D.,Knight, David W.

, p. 915 - 916 (2007/10/03)

Iodocyclisations of E-homoallylic tosylamides 7 lead to excellent yields of either 2,5-trans- or 2,5-cis-3-iodopyrrolidines (10 or 11), depending upon the reaction conditions.

Acetylenes as Potential Antarafacial Components in Concerted Reactions. Formation of Pyrroles from Thermolyses of Propargylamines, of a Dihydrofuran from a Propargylic Ether, and of an Ethylidenepyrrolidine from a β-Amino Acetylene

Viola, Alfred,Collins, John J.,Filipp, Nicholas,Locke, John S.

, p. 5067 - 5075 (2007/10/02)

A thermal cyclization of acetylenic compounds provides evidence for the ability of acetylenic links to act as antarafacial components in processes.The cyclization competes with the normally favored acetylenic retro-ene reaction.Propargylic amines, without substituents whose presence would hinder a tight cyclic transition state, yield intermediate pyrrolines whose subsequent hydrogen elimination affords pyrroles in small amounts.The same process in 2-ethynyltetrahydropyran affords 8-oxabicyclooctane in 35percent yield.A related thermal reaction of N-methyl-3-hexyn-1-amine provides a quantitative transformation to N-methyl-2-ethylidenepyrrolidine in a nominal s + 2a + 2s + 2s> Moebius process, wherein the acetylenic unit is the antarafacial component.Evidence for concertedness in these reactions is discussed.

Syntheses of Monounsaturated Sex Pheromones of Lepidoptera via 3-Alkyn-1-ols

Pop, Lidia,Oprean, I.,Barabas, A.,Hodosan, F.

, p. 867 - 878 (2007/10/02)

3-Alkyn-1-ols as intermediate synthons in the preparation of some Lepidoteran sex pheromones were utilized.Characteristic fragmentations reflecting the position of the triple bond were found in the mass spectra of 3-alkyn-1-ols and alkyn-1-yl acetates in contrast to 1-tert-butoxy-alkynes.A partial isomerization of 1-tosyloxy-3-(Z)-octene to 1-bromo-3-(E)-octene within the reaction with NaBr in DMF was noticed by GC and 13C-n.m.r., for which a mechanism involving homoconjugation in an intermediate non-classical carbonium ion was suggested.

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