5-Methyl-2-(tributylstannyl)-1,3-thiazole

Basic Information

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CAS Number

848613-91-2

Molecular Formula

C16H31NSSn

Molecular Weight

388.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

379.6°C at 760 mmHg

SMILES

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CCCC[Sn](CCCC)(CCCC)C1=NC=C(S1)C

InChI

InChI=1S/C4H4NS.3C4H9.Sn/c1-4-2-5-3-6-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;

InChIKey

LALGELPHLJBAEK-UHFFFAOYSA-N

LogP

5.5076200000000055

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

213

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H372 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

CS-0088199
AB49125
A863943
A50093
SCHEMBL577762
DTXSID80586039
5-METHYL-2-(TRI-N-BUTYLSTANNYL)THIAZOLE
FT-0685367
5-methyl-2-(tributylstannyl)thiazole, AldrichCPR
LALGELPHLJBAEK-UHFFFAOYSA-N
848613-91-2
YIB61391
EN300-317118
MFCD09025809
5-methyl-2-(tributylstannyl)-thiazole
5-Methyl-2-(tributylstannyl)-1,3-thiazole
Thiazole, 5-methyl-2-(tributylstannyl)-
5-Methyl-2-(tributylstannyl)thiazole
5-methyl-2-(tributylstannanyl)-1,3-thiazole
AKOS015843354
tributyl-(5-methyl-1,3-thiazol-2-yl)stannane
SY034753
5-Methyl-2-(tri-n-butylstannyl)thiazole
5-METHYL-2-(TRIBUTYLSTANNYL)-1,3-THIAZOLE
tributyl-(5-methylthiazol-2-yl)stannane

MDL Number

MFCD09025809

FAQ

What are the physical and chemical properties of 5-Methyl-2-(tributylstannyl)-1,3-thiazole (CAS: 848613-91-2)?

5-Methyl-2-(tributylstannyl)-1,3-thiazole is a solid at room temperature, with a molecular weight of approximately 444.47 g/mol. It has a low solubility in water but good solubility in organic solvents like dichloromethane and toluene. Chemically, it exhibits poor reactivity under standard conditions, making it stable in air and moisture. Its crystalline form provides a stable structure, which is crucial for its intended applications in organic synthesis and material science.

How is 5-Methyl-2-(tributylstannyl)-1,3-thiazole (CAS: 848613-91-2) typically synthesized?

5-Methyl-2-(tributylstannyl)-1,3-thiazole is synthesized via the coupling of tributyltin chloride with 1,3-thiazole-2-carbaldehyde in the presence of a Lewis acid catalyst, such as zinc chloride. The reaction is conducted at a moderate temperature, and the product is isolated by column chromatography. The selectivity and yield are influenced by the choice of catalyst and reaction conditions, with typical yields around 70-80%.

What industries use 5-Methyl-2-(tributylstannyl)-1,3-thiazole (CAS: 848613-91-2)?

5-Methyl-2-(tributylstannyl)-1,3-thiazole is primarily used in the pharmaceutical and material science industries. It serves as a key intermediate in the synthesis of various drug candidates and is also employed in the development of organic electronic materials and sensors due to its unique chemical structure and reactivity.

What precautions should be taken when handling 5-Methyl-2-(tributylstannyl)-1,3-thiazole (CAS: 848613-91-2)?

When handling 5-Methyl-2-(tributylstannyl)-1,3-thiazole, it is essential to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate solvents, and the area should be thoroughly ventilated. Refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal procedures.