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419885

Sigma-Aldrich

tert-Butyl propiolate

98%

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Synonym(s):
tert-Butyl acetylenecarboxylate
Linear Formula:
HC≡CCOOC(CH3)3
CAS Number:
Molecular Weight:
126.15
Beilstein/REAXYS Number:
1747175
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

98%

form

liquid

refractive index

n20/D 1.418 (lit.)

bp

52-53 °C/27 mmHg (lit.)

mp

18-20 °C (lit.)

density

0.919 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)OC(=O)C#C

InChI

1S/C7H10O2/c1-5-6(8)9-7(2,3)4/h1H,2-4H3

InChI key

XGTPDIIFEPTULX-UHFFFAOYSA-N

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1 of 4

This Item
12423011625556025
tert-Butyl propiolate 98%

419885

tert-Butyl propiolate

tert-Butyl bromoacetate 98%

124230

tert-Butyl bromoacetate

Di-tert-butyl azodicarboxylate purum, ≥98.0% (GC)

11625

Di-tert-butyl azodicarboxylate

tert-Butyl methyl succinate 97%

556025

tert-Butyl methyl succinate

mp

18-20 °C (lit.)

mp

-

mp

89-92 °C (lit.)

mp

-

form

liquid

form

liquid

form

solid

form

-

bp

52-53 °C/27 mmHg (lit.)

bp

50 °C/10 mmHg (lit.)

bp

-

bp

85-95 °C/20 mmHg (lit.)

density

0.919 g/mL at 25 °C (lit.)

density

1.321 g/mL at 25 °C (lit.)

density

-

density

1.022 g/mL at 25 °C (lit.)

refractive index

n20/D 1.418 (lit.)

refractive index

n20/D 1.445 (lit.)

refractive index

-

refractive index

n20/D 1.421 (lit.)

General description

tert-Butyl propiolate is an ester. It reacts with methimazole to afford tert-butyl (E)-3-(1-methyl-1H-imidazol-2-ylthio) acrylate. Crystallographic data for the lithium enolate of tert-butyl propiolate has been described..

Application

tert-Butyl propiolate may be used in the preparation of heterocycles, alkaloids, and unsaturated amino acids.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

pictograms

FlameExclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

82.4 °F - closed cup

flash_point_c

28 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Journal of the American Chemical Society, 112, 7682-7682 (1990)

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