ChemicalBook--->CAS DataBase List--->21806-61-1

21806-61-1

21806-61-1 Structure

21806-61-1 Structure
IdentificationBack Directory
[Name]

Prop-1-ene-1,3-sultone
[CAS]

21806-61-1
[Synonyms]

PES 99.9%
1,3-Propene sultone
Prop-1-ene-1,3-sulto
1-Propene1,3-Sultone
Prop-1-ene-1,3-sultone
5H-oxathiole 2,2-dioxide
1-Propene 1,3-Sultone >
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1-Propene 1,3-Sultone 99.9%
Prop-1-ene-1,3-sultone 99.9%
5H-1,2-Oxathiole, 2,2-dioxide
Prop-1-ene-1,3-sultone (PES) 99.9%
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Prop-1-ene-1,3-sultone1,3-Propene Sultone
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[EINECS(EC#)]

606-834-7
[Molecular Formula]

C3H4O3S
[MDL Number]

MFCD12405143
[MOL File]

21806-61-1.mol
[Molecular Weight]

120.13
Chemical PropertiesBack Directory
[Melting point ]

82-83 °C
[Boiling point ]

257 °C
[density ]

1.508
[vapor pressure ]

0.008-0.018Pa at 20-25℃
[Fp ]

109 °C
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[color ]

White to Almost white
[Major Application]

battery manufacturing
[InChI]

InChI=1S/C3H4O3S/c4-7(5)3-1-2-6-7/h1,3H,2H2
[InChIKey]

KLLQVNFCMHPYGL-UHFFFAOYSA-N
[SMILES]

O1CC=CS1(=O)=O
[LogP]

-0.49 at 25℃
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Warning
[Hazard statements ]

H302-H341
[Precautionary statements ]

P501-P270-P202-P201-P264-P280-P308+P313-P301+P312+P330-P405
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[HS Code ]

2934.99.9001
[REACH Registrations]

Active
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Aquatic Chronic 2
Eye Dam. 1
Muta. 2
Skin Sens. 1B
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

Prop-1-ene-1,3-sultone is a chiral compound that can be used as a photoelectron sensitizer. The anion radical created by protonation or deprotonation of the ionized form of prop-1-ene-1,3-sultone can be used to generate singlet oxygen and hydrogen peroxide, which are able to oxidize organic compounds. This compound is also useful in asymmetric synthesis due to its ability to act as a ligand for transition metal ions, such as Fe2+. It has also been shown to have antioxidant properties and is soluble in both organic solvents and deionized water.
[Synthesis]

A method for producing a Prop-1-ene-1,3-sultone comprises: a step 1 of chlorinating POCl3 or PCl5 with a compound of the chemical formula 2 to produce a compound of the chemical formula 3; a step 2 of diluting the compound of the chemical formula 3 and bromodan (1,3-Dibromo-5,6-dimethylhydantoin) in dichloroethylene solvent and stirring at 20-30°C for four to eight hours to produce 2-halo-1,3-propan sultone of the chemical formula 4; and a step 3 of adding base in the 2-halo-1,3-propan sultone of the chemical formula 4 and stirring for four to eight hours to produce Prop-1-ene-1,3-sultone.
[References]

[1] Patent: CN107556286, 2018, A. Location in patent: Paragraph 0036; 0045-0046
[2] Patent: CN108558820, 2018, A. Location in patent: Paragraph 0030; 0034; 0035; 0039; 0040; 0044
[3] Patent: CN104610221, 2016, B. Location in patent: Paragraph 0034; 0039; 0044
[4] Synthesis, 2003, # 9, p. 1329 - 1334
[5] Journal of Heterocyclic Chemistry, 2003, vol. 40, # 6, p. 1071 - 1074
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