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tert-Butyl propiolate

Name: <I>tert</I>-Butyl propiolate
Brand: ALDRICH
Price: 159 USD

98%

Synonym(s):

tert-Butyl acetylenecarboxylate

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1 g		Check Cart for Availability	$159.00

About This Item

Linear Formula:

HC≡CCOOC(CH₃)₃

CAS Number:

13831-03-3

Molecular Weight:

126.15

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24866283

MDL number:

MFCD00060100

Beilstein/REAXYS Number:

1747175

Assay:

98%

Form:

liquid

$159.00

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Properties

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.)

functional group

ester

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

Description

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.[1] 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.

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This Item	556025	254525	481874
Sigma-Aldrich 419885 tert-Butyl propiolate	Sigma-Aldrich 556025 tert-Butyl methyl succinate	Sigma-Aldrich 254525 tert-Butyl propionate	Sigma-Aldrich 481874 3-tert-Butyl-2-hydroxybenzaldehyde
assay 98%	assay 97%	assay 99%	assay 96%
Quality Level 200	Quality Level 100	Quality Level 100	Quality Level 100
bp 52-53 °C/27 mmHg (lit.)	bp 85-95 °C/20 mmHg (lit.)	bp 118-118.5 °C (lit.)	bp 78-79 °C/1 mmHg (lit.)
refractive index n20/D 1.418 (lit.)	refractive index n20/D 1.421 (lit.)	refractive index n20/D 1.393 (lit.)	refractive index n20/D 1.544 (lit.)
density 0.919 g/mL at 25 °C (lit.)	density 1.022 g/mL at 25 °C (lit.)	density 0.865 g/mL at 25 °C (lit.)	density 1.041 g/mL at 25 °C (lit.)
mp 18-20 °C (lit.)	mp -	mp -	mp -