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745723

3-Methyl-1-butyne

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
EC Number:
209-925-6
MDL number:
MFCD00039853
UNSPSC Code:
12352100
PubChem Substance ID:
329765007
NACRES:
NA.22

Key Documents

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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

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1 of 4

This Item
687189274585274372
3-Methyl-1-butyne 95%

Sigma-Aldrich

745723

3-Methyl-1-butyne

2-Methyl-3-butyn-2-amine 95%

Sigma-Aldrich

687189

2-Methyl-3-butyn-2-amine

Methyl trimethylsilyl dimethylketene acetal 95%

Sigma-Aldrich

274585

Methyl trimethylsilyl dimethylketene acetal

3,3-Dimethylallyl bromide 95%, contains silver wool as stabilizer

Sigma-Aldrich

274372

3,3-Dimethylallyl bromide

assay

95%

assay

95%

assay

95%

assay

95%

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

200

refractive index

n20/D 1.374

refractive index

n20/D 1.4237

refractive index

n20/D 1.415 (lit.)

refractive index

n20/D 1.489 (lit.)

storage temp.

2-8°C

storage temp.

2-8°C

storage temp.

-

storage temp.

2-8°C

form

liquid

form

liquid

form

liquid

form

-

density

0.666 g/mL at 25 °C (lit.)

density

0.79 g/mL at 25 °C

density

0.858 g/mL at 25 °C (lit.)

density

1.29 g/mL at 20 °C (lit.)

Application

3-Methyl-1-butyne can be used as a reactant in the ruthenium-catalyzed synthesis of functionalized cycloheptadienes[1] and titanium-catalyzed [2+2+1] multicomponent pyrrole synthesis.[2] It is also used as a precursor in the total syntheses of (+)-frondosin A[3], (−)-citrinadin A[4], (+)-citrinadin B[5] and coraxeniolide A.[6]
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.[7]
  • An alkyne carboxylic acid (Alkyne Segment C) intermediate, which is used in the total synthesis of oscillatoxin D and its analogs.[8]

pictograms

Flame
GHS02

signalword

Danger

hcodes

H224

pcodes

P210

Hazard Classifications

Flam. Liq. 1

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

-22.0 °F

flash_point_c

-30 °C

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Certificates of Analysis (COA)

Lot/Batch Number
MKCX0969
MKCV5688
MKCW0702
MKCT1488
MKCT8327

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Intermolecular Pauson-Khand reactions of N-substituted maleimides
Brantley CL and Coombs TC
Tetrahedron Letters, 58(48), 4519-4524 (2017)
Trimethylsilyl-Protected Alkynes as Selective Cross-Coupling Partners in Titanium-Catalyzed [2+ 2+ 1] Pyrrole Synthesis.
Chiu, Hsin-Chun and Tonks, Ian A
Angewandte Chemie (International Edition in English), 57(21), 6090-6094 (2018)
Synthetic Route to Oscillatoxin D and Its Analogues
Nokura Y, et al.
Organic Letters, 19(21), 5992-5995 (2017)
Enantioselective total synthesis of (-)-citrinadin A and revision of its stereochemical structure.
Bian, Zhiguo and Marvin, Christopher C and Martin, Stephen F
Journal of the American Chemical Society, 135(30), 10886-10889 (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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