ChemicalBook--->CAS DataBase List--->58139-03-0

58139-03-0

58139-03-0 Structure

58139-03-0 Structure
IdentificationBack Directory
[Name]

2-IODO-6-METHOXYPYRAZINE
[CAS]

58139-03-0
[Synonyms]

2-IODO-6-METHOXYPYRAZINE
Pyrazine, 2-iodo-6-methoxy-
2-Iodo-6-methoxypyrazine 95%
[Molecular Formula]

C5H5IN2O
[MDL Number]

MFCD09265494
[MOL File]

58139-03-0.mol
[Molecular Weight]

236.01
Chemical PropertiesBack Directory
[Melting point ]

36.6-38.1°C
[Fp ]

>110℃
[form ]

solid
[InChI]

1S/C5H5IN2O/c1-9-5-3-7-2-4(6)8-5/h2-3H,1H3
[InChIKey]

NSZWVUZALRZRLQ-UHFFFAOYSA-N
[SMILES]

COc1cncc(I)n1
Safety DataBack Directory
[Symbol(GHS) ]


GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H318-H335
[Precautionary statements ]

P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
[Hazard Codes ]

Xn
[Risk Statements ]

10-22-37/38-41
[Safety Statements ]

16-26-37
[WGK Germany ]

3
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Synthesis]

2,6-DIIODOPYRAZINE

58138-79-7

2-IODO-6-METHOXYPYRAZINE

58139-03-0

Phase 2: Preparation of 2-iodo-6-methoxypyrazine 2,6-Diiodopyrazine (5.0 g, 15 mmol) was added to a pre-prepared methanolic solution of sodium methanolate (prepared by reacting sodium metal (0.35 g, 15 mmol) with methanol (40 mL)). The reaction mixture was heated to reflux temperature and maintained for 1 hour. After completion of the reaction, it was cooled to room temperature and the reaction solution was diluted with water (200 mL) and subsequently extracted with diethyl ether (3 × 100 mL). The organic phases were combined, washed with water, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure to afford 2-iodo-6-methoxypyrazine as a white solid (3.5 g, 100% yield). Melting point: 35.7-37.2 °C. NMR hydrogen spectrum (90 MHz, CDCl3): δ 8.40 (1H, single peak), 8.16 (1H, single peak), 3.98 (3H, single peak). Mass spectrum (m/z): 236 (M+), 127, 109 (100%).

[References]

[1] Patent: US4975112, 1990, A
[2] Patent: US5260293, 1993, A
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