(1,1-Dioxidotetrahydro-2H-thiopyran-4-YL)acetic acid

Basic Information

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CAS Number

1224869-02-6

Molecular Formula

C7H12O4S

Molecular Weight

192.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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C1CS(=O)(=O)CCC1CC(=O)O

InChI

InChI=1S/C7H12O4S/c8-7(9)5-6-1-3-12(10,11)4-2-6/h6H,1-5H2,(H,8,9)

InChIKey

ZNKGPJTYNUEAKE-UHFFFAOYSA-N

LogP

0.28590000000000004

Topological Polar Surface Area

71.44 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

248

Synonyms & References

English

2-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)acetic acid
(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)acetic acid
(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)acetic acid(SALTDATA: FREE)
2-(1,1-dioxothian-4-yl)acetic acid
(1,1-dioxidotetrahydro-2h-thiopyran-4-yl)acetic acid
AKOS010825750
2H-Thiopyran-4-acetic acid, tetrahydro-, 1,1-dioxide
A891121
AS-33836
SY097621
ZYB86902
Z826527100
PB11982
1224869-02-6
MFCD11045819
2-(1,1-dioxo-1lambda6-thian-4-yl)acetic acid
CS-0053673
(1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)ACETIC ACID
2-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)aceticacid
EN300-250120
DB-092324
SCHEMBL7998985
(1,1-DIOXO-1??-THIAN-4-YL)ACETIC ACID

MDL Number

MFCD11045819

FAQ

What are the physical and chemical properties of (1,1-Dioxidotetrahydro-2H-thiopyran-4-YL)acetic acid (CAS: 1224869-02-6)?

(1,1-Dioxidotetrahydro-2H-thiopyran-4-YL)acetic acid is a crystalline solid with a molecular weight of approximately 248.09 g/mol. It has a pKa of about 2.5, indicating acidic behavior. The compound is slightly soluble in water and more readily soluble in organic solvents like methanol and ethanol. It exhibits typical reactivity of carboxylic acids, including esterification and amidation.

How is (1,1-Dioxidotetrahydro-2H-thiopyran-4-YL)acetic acid (CAS: 1224869-02-6) typically synthesized?

(1,1-Dioxidotetrahydro-2H-thiopyran-4-YL)acetic acid can be synthesized via the reaction of 1,1-dioxidotetrahydro-2H-thiopyran-4-yl chloride with acetic anhydride in the presence of a base like triethylamine. The process typically yields a high purity product with good selectivity, though careful control of reaction conditions is necessary to avoid side reactions.

What industries use (1,1-Dioxidotetrahydro-2H-thiopyran-4-YL)acetic acid (CAS: 1224869-02-6)?

(1,1-Dioxidotetrahydro-2H-thiopyran-4-YL)acetic acid is primarily used in the pharmaceutical industry for the synthesis of various drug compounds and as a precursor in organic synthesis. It also has potential applications in the production of polymers and as a reagent in analytical chemistry and material science.

What precautions should be taken when handling (1,1-Dioxidotetrahydro-2H-thiopyran-4-YL)acetic acid (CAS: 1224869-02-6)?

When handling (1,1-Dioxidotetrahydro-2H-thiopyran-4-YL)acetic acid, appropriate personal protective equipment (PPE) such as gloves, goggles, and laboratory coat should be worn. The compound should be stored in a cool, dry place away from ignition sources. In case of spill, it should be cleaned up carefully using appropriate absorbents. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.