Tetrahydro-2H-thiopyran-4-carboxylic acid

Basic Information

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CAS Number

89489-53-2

Molecular Formula

C6H10O2S

Molecular Weight

146.21 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

Melting Point

111.5-112.5 ºC

Density

1.237±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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C1CSCCC1C(=O)O

InChI

InChI=1S/C6H10O2S/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H,7,8)

InChIKey

SCKSQOIXSGPVJS-UHFFFAOYSA-N

LogP

1.2142

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

108

Synonyms & References

English

Tetrahydro-2H-thiopyran-4-carboxylic acid
2H-Thiopyran-4-carboxylicacid, tetrahydro-
tetrahydrothiopyran-4-carboxylic acid
thiane-4-carboxylic acid
2H-THIOPYRAN-4-CARBOXYLIC ACID, TETRAHYDRO-
2H-Thiopyran-4-carboxylicacid,tetrahydro-(9CI)
SCKSQOIXSGPVJS-UHFFFAOYSA-N
SBB053436
tetrahydro-thiopyran-4-carboxylic acid
PB25232
TRA0073515
SY019842
AM804512
Tetrahydro-2H-thiopyran-4-carboxylic acid (ACI)
Thiopyran-4-carboxylic acid, tetrahydro- (7CI)
Tetrahydrothiopyran-4-carboxylic acid
Thiane-4-carboxylic acid
CS-0045869
4-carboxythiane
Tetrahydrothiopyran-4-carboxylicacid
EN300-75808
tetrahydrothiopyran-4-carboxylic acid, AldrichCPR
DTXSID60616242
DB-078428
TS-01908
MFCD09879921
4-Carboxytetrahydro-2H-thiopyran
Z826531634
AKOS010828489
SCHEMBL1024061
J-524867

MDL Number

MFCD09879921

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Tetrahydro-2H-thiopyran-4-carboxylic acid (CAS: 89489-53-2)?

Tetrahydro-2H-thiopyran-4-carboxylic acid (CAS: 89489-53-2) is a white crystalline solid with a molecular weight of approximately 168.17 g/mol. It has a pKa of about 4.7 and is slightly soluble in water. The compound exhibits moderate reactivity towards nucleophiles, making it suitable for various chemical transformations. It is also known for its stability under normal conditions but may degrade under strongly acidic or basic conditions.

How is Tetrahydro-2H-thiopyran-4-carboxylic acid (CAS: 89489-53-2) typically synthesized?

Tetrahydro-2H-thiopyran-4-carboxylic acid can be synthesized via the hydrolysis of thiopyranone using a weak acid catalyst, such as hydrochloric acid. The reaction typically proceeds with a yield of around 70-80%, and the product is isolated by recrystallization from an appropriate solvent. Other methods include the condensation of acetic acid and thiophene, followed by further transformations to obtain the desired carboxylic acid.

What industries use Tetrahydro-2H-thiopyran-4-carboxylic acid (CAS: 89489-53-2)?

Tetrahydro-2H-thiopyran-4-carboxylic acid (CAS: 89489-53-2) is used in various industries due to its functional groups. It is employed in the pharmaceutical industry for developing certain drugs, in the polymer industry for modifying properties of polymers, in sensor technology for chemical detection, and in semiconductor manufacturing for etching processes. Its versatility in functional chemistry makes it a valuable compound in these sectors.

What precautions should be taken when handling Tetrahydro-2H-thiopyran-4-carboxylic acid (CAS: 89489-53-2)?

When handling Tetrahydro-2H-thiopyran-4-carboxylic acid (CAS: 89489-53-2), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled carefully, using absorbent material and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions to ensure safety.