ChemicalBook--->CAS DataBase List--->37067-95-1

37067-95-1

37067-95-1 Structure

37067-95-1 Structure
IdentificationBack Directory
[Name]

2-Iodo-1-methyl-1H-imidazole
[CAS]

37067-95-1
[Synonyms]

2-IODO-1-METHYLIMIDAZOLE
2-IODO-1-METHYL-1H-IMIDAZOLE
1H-Imidazole, 2-iodo-1-methyl-
[Molecular Formula]

C4H5IN2
[MDL Number]

MFCD00661606
[MOL File]

37067-95-1.mol
[Molecular Weight]

208
Chemical PropertiesBack Directory
[Melting point ]

87 °C
[Boiling point ]

120-122°C 45mm
[density ]

2.07±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[form ]

solid
[pka]

4.17±0.25(Predicted)
[Appearance]

Off-white to light brown Solid
[Sensitive ]

Light Sensitive
[InChI]

InChI=1S/C4H5IN2/c1-7-3-2-6-4(7)5/h2-3H,1H3
[InChIKey]

BKRACZNEJSCZML-UHFFFAOYSA-N
[SMILES]

C1(I)N(C)C=CN=1
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H315-H318-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

36/37/38-22-41-37/38
[Safety Statements ]

26-36/37/39-22-39
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

2933299090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

2-Iodo-1-methyl-1H-imidazole(37067-95-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-Methylimidazole

616-47-7

2-Iodo-1-methyl-1H-imidazole

37067-95-1

GENERAL METHOD: To a mixture containing 2-phenylimidazo[1,2-a]pyridine (1a, 39 mg, 0.2 mmol), molecular iodine (I2, 50 mg, 0.2 mmol), and 4-(3-methylimidazolyl)butane-1-sulfonate (I, 9 mg, 0.04 mmol), water (2 mL) was added. The mixture was transferred to a sealed tube and stirred at room temperature for 2 hours. After completion of the reaction (monitored by TLC), the mixture was extracted with ethyl acetate (20 mL). The organic phase was dried with anhydrous sodium sulfate (Na2SO4) and concentrated under reduced pressure to give the crude product. The crude product was purified by column chromatography (silica gel, 60-120 mesh, petroleum ether/ethyl acetate, 9:1) to give 2-iodo-1-methyl-1H-imidazole (2a) as a white solid. Yield: 58 mg (91%); melting point: 132-134 °C.

[References]

[1] Organic Letters, 2014, vol. 16, # 12, p. 3244 - 3247
[2] European Journal of Inorganic Chemistry, 2017, vol. 2017, # 20, p. 2774 - 2781
[3] Organic Letters, 2003, vol. 5, # 18, p. 3209 - 3212
[4] Journal of Organometallic Chemistry, 2007, vol. 692, # 1-3, p. 635 - 644
[5] Synthesis (Germany), 2016, vol. 48, # 22, p. 4009 - 4015
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