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244473

Sigma-Aldrich

4-Octyne

99%

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Linear Formula:
CH3CH2CH2C≡CCH2CH2CH3
CAS Number:
1942-45-6
Molecular Weight:
110.20
Beilstein:
1732138
EC Number:
217-730-2
MDL number:
MFCD00009471
UNSPSC Code:
12352100
eCl@ss:
39010412
PubChem Substance ID:
24854679
NACRES:
NA.22

vapor pressure

35 mmHg ( 37.7 °C)

Quality Level

100

Assay

99%

form

liquid

refractive index

n20/D 1.425 (lit.)

bp

131-132 °C (lit.)

mp

−103 °C (lit.)

density

0.751 g/mL at 25 °C (lit.)

SMILES string

CCCC#CCCC

InChI

1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3

InChI key

GZTNBKQTTZSQNS-UHFFFAOYSA-N

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General description

4-Octyne, also known as dipropylethyne can be used as a versatile building block in organic synthesis. The kinetics of the stereoselective semi-hydrogenation of 4-octyne (in tetrahydrofuran) was studied.

Application

4-Octyne, an electron-rich dialkylacetylene, was used in the synthesis of highly substituted 1,3-dienes.

Signal Word

Danger

Hazard Statements

H226,H304,H319,H335

Hazard Classifications

Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 3 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

84.2 °F

Flash Point(C)

29 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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Chengxiang Zhou et al.
The Journal of organic chemistry, 71(8), 3184-3191 (2006-04-08)
The Pd(II)-catalyzed reaction of arylboronic acids and internal alkynes provides a convenient route to a wide variety of tetrasubstituted olefins. The reaction is conducted in DMSO using molecular O2 as an oxidant in the absence of any base. The reaction
Alexander M Kluwer et al.
Journal of the American Chemical Society, 127(44), 15470-15480 (2005-11-03)
The kinetics of the stereoselective semi-hydrogenation of 4-octyne in THF by the highly active catalyst [Pd{(m,m'-(CF(3))(2)C(6)H(3))-bian}(ma)] (2) (bian = bis(imino)acenaphthene; ma = maleic anhydride) has been investigated. The rate law under hydrogen-rich conditions is described by r = k[4-octyne](0.65)[Pd][H(2)], showing
Cyclopentadienone synthesis by rhodium (I)-catalyzed [3+ 2] cycloaddition reactions of cyclopropenones and alkynes
PA Wender, et al.
Journal of the American Chemical Society, 128, 14814-14815 (2006)
Kelly E Aldrich et al.
Dalton transactions (Cambridge, England : 2003), 48(30), 11352-11360 (2019-07-10)
Highly dehydrated silica gel, SiO2700, gave a material with a total surface hydroxyl density of 0.31 ± 0.05 mmol g-1, 0.9 ± 0.1 Si-OH sites per nm2. Treatment of this material with Ti(NMe2)4 gave Ti(NMe2)3/SiO2700, which is 1.50% ± 0.07
Davide Albani et al.
Nature communications, 9(1), 2634-2634 (2018-07-08)
Ensemble control has been intensively pursued for decades to identify sustainable alternatives to the Lindlar catalyst (PdPb/CaCO3) applied for the partial hydrogenation of alkynes in industrial organic synthesis. Although the geometric and electronic requirements are known, a literature survey illustrates

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