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Merck
CN

728578

Sigma-Aldrich

(RS)-1-Methyl-2-propynyl p-toluenesulfonate

95%

Synonym(s):

1-Butyn-3-yl tosylate, 3-Butyn-2-ol 4-methylbenzene sulfonate, Toluene-4-sulfonic acid 1-methyl-2-propynyl ester

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About This Item

Empirical Formula (Hill Notation):
C11H12O3S
CAS Number:
Molecular Weight:
224.28
Beilstein:
2650656
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.22
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Assay

≥95.0% (HPLC)
95%

form

powder

storage temp.

2-8°C

SMILES string

CC(OS(=O)(=O)c1ccc(C)cc1)C#C

InChI

1S/C11H12O3S/c1-4-10(3)14-15(12,13)11-7-5-9(2)6-8-11/h1,5-8,10H,2-3H3

InChI key

XWRDBUBKBUYLQI-UHFFFAOYSA-N

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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On the Stereochemistry of the Aromatic Claisen Rearrangement. Thermal Rearrangement of erythroid and threoid ortho-Dienones.
Wunderli, A. et al.,
Helvetica Chimica Acta, 60, 2436-2459 (1977)

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