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About This Item
Empirical Formula (Hill Notation):
C4H3NOS
CAS Number:
Molecular Weight:
113.14
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
97%
form
liquid
refractive index
n20/D 1.574 (lit.)
bp
61-63 °C/15 mmHg (lit.)
density
1.288 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
O=Cc1nccs1
InChI
1S/C4H3NOS/c6-3-4-5-1-2-7-4/h1-3H
InChI key
ZGTFNNUASMWGTM-UHFFFAOYSA-N
General description
2-Thiazolecarboxaldehyde is a thiazole aldehyde derivative. It undergoes Baylis–Hillman reaction with methyl acrylate catalyzed by DABCO (1,4-diazabicyclo[2.2.2]octane). The reaction mechanism has been studied by electrospray ionization mass spectrometry (ESI-MS).
Application
2-Thiazolecarboxaldehyde may be used as a reactant in the following syntheses:
- Benzothiazine N-acylhydrazones, having potential antinociceptive and anti-inflammatory activity.
- Thiazole-2-yl-(amino)methylphosphonate diethyl esters.
- Imino ester by reacting with L-leucine t-butyl ester hydrochloride.
Useful building block for taxane analogs.
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
154.4 °F - closed cup
Flash Point(C)
68 °C - closed cup
Certificates of Analysis (COA)
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