| Identification | More | [Name]
2-Isopropyl-4-(methylaminomethyl)thiazole | [CAS]
154212-60-9 | [Synonyms]
1-(2-Isopropylthiazol-4-yl)-N-methyl methanamine
2-ISOPROPYL-4-(METHYLAMINOMETHYL)THIAZOLE
2-isopropyl-1,3-thiazol-4-methylmethanamine hydrochloride
2-Isopropyl-4-(Methylaminomethyl)Thiazole(IntermediateOfRitonavir)
2-isopropyl-4-(N-methyl)aminomethylthiazole | [EINECS(EC#)]
414-800-6 | [Molecular Formula]
C8H14N2S | [MDL Number]
MFCD06797201 | [Molecular Weight]
170.28 | [MOL File]
154212-60-9.mol |
| Chemical Properties | Back Directory | [Boiling point ]
230.9±15.0 °C(Predicted) | [density ]
1.039±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C, protect from light | [pka]
8.06±0.10(Predicted) | [Appearance]
Colorless to light yellow Liquid | [InChI]
InChI=1S/C8H14N2S/c1-6(2)8-10-7(4-9-3)5-11-8/h5-6,9H,4H2,1-3H3 | [InChIKey]
HWSFABGWAXURNG-UHFFFAOYSA-N | [SMILES]
S1C=C(CNC)N=C1C(C)C | [CAS DataBase Reference]
154212-60-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H319 | [Precautionary statements ]
P305+P351+P338 | [Hazard Codes ]
Xn,N | [Risk Statements ]
R21/22:Harmful in contact with skin and if swallowed .
R38:Irritating to the skin.
R41:Risk of serious damage to eyes.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [HS Code ]
2934100090 |
| Hazard Information | Back Directory | [Synthesis]
To a 250 mL three-necked flask was added 4-(chloromethyl)-2-isopropylthiazole (9 g, 0.05 mol) and 40% aqueous methylamine solution (100 mL). The reaction mixture was heated to 50-60 °C and the reaction was stirred at this temperature overnight. After the reaction was completed, the mixture was cooled to room temperature. Dichloromethane (100 mL) and isopropanol (30 mL) were added to the reaction mixture, which was stirred thoroughly and left to stratify. The aqueous phase was separated and the aqueous phase was extracted with dichloromethane 3 times. All organic phases were combined and dried with anhydrous sodium sulfate. The dried organic phase was filtered and the filtrate was concentrated under reduced pressure to remove the solvent. The crude product was purified by column chromatography (silica gel, appropriate eluent) to afford 2-isopropyl-4-(methylaminomethyl)thiazole (6.5 g, 74% yield) as a colorless liquid. | [References]
[1] Patent: CN104557763, 2017, B. Location in patent: Paragraph 0026; 0034; 0035; 0036; 0046; 0056; 0064-0066
[2] Patent: WO2006/90270, 2006, A1. Location in patent: Page/Page column 8-9 |
|
|