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745723

3-Methyl-1-butyne

Name: 3-Methyl-1-butyne
Brand: ALDRICH

95%

Synonym(s):

1-Isopentyne, 2-Methyl-3-butyne, 3,3-Dimethyl-1-propyne, Isopropylacetylene, Isopropylethyne

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About This Item

Empirical Formula (Hill Notation):

C₅H₈

CAS Number:

598-23-2

Molecular Weight:

68.12

NACRES:

NA.22

PubChem Substance ID:

329765007

UNSPSC Code:

12352100

EC Number:

209-925-6

MDL number:

MFCD00039853

Assay:

95%

Form:

liquid

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Properties

Quality Level

100

assay

95%

form

liquid

refractive index

n20/D 1.374

density

0.666 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

C#CC(C)C

InChI

1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3

InChI key

USCSRAJGJYMJFZ-UHFFFAOYSA-N

Description

Application

3-Methyl-1-butyne can be used as a reactant in the ruthenium-catalyzed synthesis of functionalized cycloheptadienes and titanium-catalyzed [2+2+1] multicomponent pyrrole synthesis. It is also used as a precursor in the total syntheses of (+)-frondosin A, (−)-citrinadin A, (+)-citrinadin B and coraxeniolide A.

3-Methyl-1-butyne is a terminal alkyne that can be used to prepare:

Maleimide-fused cyclopentenones by reacting with N-substituted maleimides via Co₂(CO)₈-mediated Pauson−Khand reaction.
An alkyne carboxylic acid (Alkyne Segment C) intermediate, which is used in the total synthesis of oscillatoxin D and its analogs.

pictograms

GHS02

signalword

Danger

hcodes

H224

pcodes

P210

Hazard Classifications

Flam. Liq. 1

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

-22.0 °F

flash_point_c

-30 °C

Regulatory Information

危险化学品

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An unconventional approach to the enantioselective synthesis of caryophylloids.

Larionov, Oleg V and Corey, EJ

Journal of the American Chemical Society, 130(10), 2954-2955 (2008)

An enantioselective total synthesis and stereochemical revision of (+)-citrinadin B.

Kong K, et al.

Journal of the American Chemical Society, 135(30), 10890-10893 (2013)

Metal carbene-promoted sequential transformations for the enantioselective synthesis of highly functionalized cycloheptadienes.

Deng L, et al.

Journal of the American Chemical Society, 127(5), 1342-1343 (2005)

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Global Trade Item Number

SKU	GTIN
745723-5G	04061833555682
745723-25G	04061833555675