ChemicalBook--->CAS DataBase List--->3581-87-1

3581-87-1

3581-87-1 Structure

3581-87-1 Structure
IdentificationMore
[Name]

2-Methylthiazole
[CAS]

3581-87-1
[Synonyms]

2-METHYL-1,3-THIAZOLE
AURORA KA-6469
Thiazole, 2-methyl-
thiazole,2-methyl-
2-METHYLTHIAZOLE 98+%
[EINECS(EC#)]

222-702-8
[Molecular Formula]

C4H5NS
[MDL Number]

MFCD00053144
[Molecular Weight]

99.15
[MOL File]

3581-87-1.mol
Questions And AnswerBack Directory
[Preparation]

2-Bromothiazole (5.0 g, 30.5 mmol) was added stepwise to n-BuLi (14.6 mL of 1.6 M hexane, 36.6 mmol) in Et₂O (60 mL) at -78°C under nitrogen. The reaction mixture was stirred for 40 minutes, then dimethyl sulfate (4.75 mL, 50.3 mmol) was added dropwise, and the reaction mixture was heated to -10°C (and placed in a refrigerator) and allowed to stand overnight. The reaction mixture was heated to 0°C and carefully quenched with 2 M HCl (40 mL). The organic layer was separated and extracted with 2 M HCl (2×). The acidic extract was combined with 2 M NaOH to form a strongly basic solution and extracted with Et₂O (4×). The combined organic extract was dried over KOH, the solvent was distilled at atmospheric pressure, and then 2-methylthiazole was distilled off at 128–130°C.
Chemical PropertiesBack Directory
[Melting point ]

-24 °C
[Boiling point ]

129 °C
[density ]

1.11
[refractive index ]

1.5190-1.5230
[Fp ]

29 °C
[storage temp. ]

Sealed in dry,Room Temperature
[Water Solubility ]

Completely miscible in water
[form ]

liquid
[pka]

pK1:3.40(+1) (25°C,μ=0.1)
[color ]

Colorless to Yellow
[Odor]

at 0.10 % in propylene glycol. green vegetable
[Odor Type]

green
[InChI]

1S/C4H5NS/c1-4-5-2-3-6-4/h2-3H,1H3
[InChIKey]

VZWOXDYRBDIHMA-UHFFFAOYSA-N
[SMILES]

Cc1nccs1
[LogP]

0.343 (est)
[CAS DataBase Reference]

3581-87-1(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Methylthiazole(3581-87-1)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P403+P235-P501
[Risk Statements ]

R10:Flammable.
R22:Harmful if swallowed.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
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 .
[RIDADR ]

1993
[WGK Germany ]

WGK 3
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

2934100090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Bromothiazole-->Dimethyl sulfate-->Thiazole
[Preparation Products]

Methyl 2-amino-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
Hazard InformationBack Directory
[Uses]

2-Methylthiazole is a derivative of thiazole, an anti-tubercular agent.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methylthiazole(3581-87-1)1HNMR
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

2-Methylthiazole,>98.0%(GC)(3581-87-1)
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