Skip to Content
MilliporeSigma
All Photos(2)

Documents

419885

Sigma-Aldrich

tert-Butyl propiolate

98%

Synonym(s):

tert-Butyl acetylenecarboxylate

Sign Into View Organizational & Contract Pricing


About This Item

Linear Formula:
HC≡CCOOC(CH3)3
CAS Number:
Molecular Weight:
126.15
Beilstein/REAXYS Number:
1747175
MDL number:
UNSPSC Code:
12352100
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

Looking for similar products? Visit Product Comparison Guide

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


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Tetrahedron Letters, 30, 3625-3625 (1989)
Structures of three lithium ester enolates by X-ray diffraction: derivation of reaction path for cleavage into ketene and alcoholate.
Seebach D, et al.
Journal of the American Chemical Society, 170(19), 5403-5409 (1985)
Tetrahedron, 48, 669-669 (1992)
Tetrahedron Letters, 29, 6183-6183 (1988)
Journal of the American Chemical Society, 112, 7682-7682 (1990)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service