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738271

3-Butynoic acid

95%

Synonym(s):

2-Ethynylacetic acid

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About This Item

Empirical Formula (Hill Notation):
C4H4O2
CAS Number:
2345-51-9
Molecular Weight:
84.07
MDL number:
MFCD02258494
UNSPSC Code:
12352100
NACRES:
NA.22
Assay:
95%
Form:
powder
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Quality Level

100

assay

95%

form

powder

mp

70-80 °C

SMILES string

OC(=O)CC#C

InChI

1S/C4H4O2/c1-2-3-4(5)6/h1H,3H2,(H,5,6)

InChI key

KKAHGSQLSTUDAV-UHFFFAOYSA-N

Application

Some of the applications of 3-butynoic acid are:
  • Synthesis of functionalized γ-butyrolactones and tetrahydrofurans via Conia-ene cyclizations.
  • Synthesis of allenoates for [2+2] cycloadditions with alkenes.
  • Phosphine-catalyzed synthesis of highly functionalized coumarins.
  • Synthesis of various useful organotin reagents via radical hydrostannation of 3-butynoic acid.

pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Eye Dam. 1 - Skin Corr. 1B

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MKCT6659
MKCS5343
MKCQ8433
MKCP1130
MKCM0872

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Synergistic Diazo?OH Insertion/Conia?Ene Cascade Catalysis for the Stereoselective Synthesis of ??Butyrolactones and Tetrahydrofurans.
Hunter A C, et al.
Chemistry?A European Journal , 22(45), 16062-16065 (2016)
Phosphine-catalyzed synthesis of highly functionalized coumarins.
Henry C E and Kwon O
Organic Letters, 9(16), 3069-3072 (2007)
Ionogels, new materials arising from the confinement of ionic liquids within silica-derived networks.
Neouze M A, et al.
Chemistry of Materials, 18(17), 3931-3936 (2006)
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Global Trade Item Number

SKUGTIN
738271-1G04061832883762