2-Isobutyl-1,3-thiazole

Basic Information

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CAS Number

18640-74-9

Molecular Formula

C7H11NS

Molecular Weight

141.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

180°C

Refractive Index

n20/D 1.495(lit.)

SMILES

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CC(C)Cc1nccs1

InChI

InChI=1S/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3

InChIKey

CMPVUVUNJQERIT-UHFFFAOYSA-N

LogP

2.3416000000000006

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

2-Isobutylthiazole
2-i-butylthiazole
2-Isobutyl-1,3-thiazole
FEMA 3134
FEMA NUMBER 3134
isobutylthiazole
tertiary sulfonamide
THIAZOLE,2-ISOBUTYL
'TOMATO LEAF' THIAZOLE
2-(2-Methylpropyl)-thiazole
''TOMATO LEAF'' THIAZOLE
2-(2-methylpropyl)-Thiazo
THIAZYL 1% DPG
THIAZOLE, 2-ISOBUTYL
2-Isobutylthiazole 97%
2-ISOBUTYLTHIAZOLE 99+%
2-(2-Methylpropyl)thiazole
Thiazole, 2-isobutyl-
Thiazole, 2-(2-methylpropyl)-
2-(2-methylpropyl)-1,3-thiazole
2-ISOBUTYL THIAZOLE
iso-butyl thiazole
2-(2-Methylpropyl) thiazole
FEMA No. 3134
2-iso-butylthiazole
Thiazole, (2-methylpropyl)-
7N03TDY75D
Thiazole, 2-isobutyl- (8CI)
CMPVUVUNJQERIT-UHFFFAOYSA-N
2-isobutyl-thiazole
2-iso-butyl thiaz

MDL Number

MFCD00005334

Customs Code

2934100090

FAQ

What are the physical and chemical properties of 2-Isobutyl-1,3-thiazole (CAS: 18640-74-9)?

2-Isobutyl-1,3-thiazole (CAS: 18640-74-9) is a colorless to yellowish liquid with a molecular weight of 142.21 g/mol. It has a solubility of 0.25 g/100 mL in water and is soluble in organic solvents like ethanol and acetone. This compound is moderately reactive towards nucleophiles and can form thioesters. It is also known for its characteristic odor similar to sulfur and garlic.

How is 2-Isobutyl-1,3-thiazole (CAS: 18640-74-9) typically synthesized?

2-Isobutyl-1,3-thiazole (CAS: 18640-74-9) is commonly synthesized via the thiazole coupling reaction between isobutylamine and 2-bromo-4,6-dichloropyrimidine. The reaction is catalyzed by palladium(II) acetate and a ligand such as Xantphos. The yield is around 75-85%, and the method provides good regioselectivity and chemoselectivity.

What industries use 2-Isobutyl-1,3-thiazole (CAS: 18640-74-9)?

2-Isobutyl-1,3-thiazole (CAS: 18640-74-9) is used in the pharmaceutical industry as an intermediate for the synthesis of various bioactive compounds. It also finds applications in the polymer industry for modifying the properties of polymers, in the production of sensors for detecting thiols, and in the semiconductor industry as a precursor for thin film deposition.

What precautions should be taken when handling 2-Isobutyl-1,3-thiazole (CAS: 18640-74-9)?

When handling 2-Isobutyl-1,3-thiazole (CAS: 18640-74-9), ensure to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up using appropriate absorbent materials and followed by thorough washing of the area. Always consult the Safety Data Sheet (SDS) for detailed safety guidelines before handling the compound.