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302481

4-Pentyn-1-ol

Name: 4-Pentyn-1-ol
Brand: ALDRICH

97%

Synonym(s):

(3-Hydroxypropyl)acetylene, 1-Hydroxy-4-pentyne, 1-Pentyn-5-ol, 5-Hydroxy-1-pentyne, Pent-4-yn-1-ol, Pent-4-yne-1-ol, Pentyne alcohol

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About This Item

Linear Formula:

HC≡CCH₂CH₂CH₂OH

CAS Number:

5390-04-5

Molecular Weight:

84.12

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24858256

EC Number:

226-383-6

Beilstein/REAXYS Number:

1736712

MDL number:

MFCD00002974

Assay:

97%

Form:

liquid

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Properties

Quality Level

100

assay

97%

form

liquid

refractive index

n20/D 1.445 (lit.)

bp

154-155 °C (lit.)

density

0.904 g/mL at 25 °C (lit.)

functional group

hydroxyl

SMILES string

OCCCC#C

InChI

1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2

InChI key

CRWVOXFUXPYTRK-UHFFFAOYSA-N

Description

General description

Mechanism of (THF)W(CO)₅-promoted endo- and exo-cycloisomerization of 4-pentyn-1-ol was studied.

Application

4-Pentyn-1-ol was used in preparation of 3-pent-4-ynyloxy phthalonitrile. It was also used as starting reagent in stereoselective total synthesis of antimicrobial marine metabolites, ieodomycin A and B.

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

143.6 °F - closed cup

flash_point_c

62 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Solvent-assisted new reaction pathways for the (THF)W(CO)5-promoted endo- and exo-cycloisomerization of 4-pentyn-1-ol: a theoretical investigation.

Tomás Sordo et al.

Journal of the American Chemical Society, 127(3), 944-952 (2005-01-20)

New solvent-assisted mechanistic routes were located for the (THF)W(CO)5-promoted endo- and exo-cycloisomerization of 4-pentyn-1-ol using the B3LYP/6-31G (with the LANL2DZ relativistic pseudopotential for W) theory level. A mixed model was used by explicitly including a THF molecule as a component

Stereoselective total synthesis of ieodomycins A and B and revision of the NMR spectroscopic data of ieodomycin B.

Sayantan Das et al.

The Journal of organic chemistry, 78(14), 7274-7280 (2013-06-21)

Stereoselective total synthesis of antimicrobial marine metabolites ieodomycin A and B have been accomplished starting from commercially available 4-pentyn-1-ol featuring strategic application of the Negishi reaction, Kumada coupling, and Crimmins acetate aldol. This revises the proton NMR spectra of ieodomycin

Discovery of novel West Nile Virus protease inhibitor based on isobenzonafuranone and triazolic derivatives of eugenol and indan-1,3-dione scaffolds.

André S de Oliveira et al.

PloS one, 14(9), e0223017-e0223017 (2019-09-27)

The West Nile Virus (WNV) NS2B-NS3 protease is an attractive target for the development of therapeutics against this arboviral pathogen. In the present investigation, the screening of a small library of fifty-eight synthetic compounds against the NS2-NB3 protease of WNV

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Global Trade Item Number

SKU	GTIN
302481-5G	04061826665916
302481-25G	04061826665909