ChemicalBook--->CAS DataBase List--->38557-71-0

38557-71-0

38557-71-0 Structure

38557-71-0 Structure
IdentificationBack Directory
[Name]

2-Chloro-6-methylpyrazine
[CAS]

38557-71-0
[Synonyms]

2-Methyl-6-chloropyrazine
6-Methyl-2-chloropyrazine
2-CHLORO-6-METHYLPYRAZINE
Pyrazine, 2-chloro-6-methyl-
2-Chloro-6-methylpyrazine97%
2-Chloro-6-methylpyrazine 97%
2-Chloro-6-methyl-1,4-diazine
2-Chloro-6-methylpyrazine >
2-Chloro-6-methylpyrazine, >=98%
2-Chloro-6-methylpyrazine ISO 9001:2015 REACH
[Molecular Formula]

C5H5ClN2
[MDL Number]

MFCD00055032
[MOL File]

38557-71-0.mol
[Molecular Weight]

128.56
Chemical PropertiesBack Directory
[Melting point ]

49-52
[Boiling point ]

83°C/35mmHg(lit.)
[density ]

1.234±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

-0.89±0.10(Predicted)
[color ]

White to Almost white
[InChI]

1S/C5H5ClN2/c1-4-2-7-3-5(6)8-4/h2-3H,1H3
[InChIKey]

CKUVSPQGYLELRG-UHFFFAOYSA-N
[SMILES]

Cc1cncc(Cl)n1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H302
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

20/21/22-36/37/38-22
[Safety Statements ]

22-26-36/37/39
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

Solid
[Uses]

2-Chloro-6-methylpyrazine was used in the synthesis of palm site inhibitors of HCV NS5B polymerase and potent dipeptidyl peptidase IV inhibitors.
[Synthesis]

(6-CHLOROPYRAZIN-2-YL)ACETIC ACID

930798-25-7

2-Chloro-6-methylpyrazine

38557-71-0

Step 3: To a 5L sealed reaction tube was added (6-chloropyrazin-2-yl)acetic acid (220 g, 1.27 mol, 1.00 equiv) and deionized water (3L). The reaction mixture was stirred at 130 °C overnight. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently extracted with ether (2 x 3 L). The organic phases were combined, dried over anhydrous sodium sulfate, filtered, and concentrated under reduced pressure to afford 238 g (73% yield) of 2-chloro-6-methylpyrazine as a yellow solid.

[References]

[1] Patent: US2015/31674, 2015, A1. Location in patent: Paragraph 0325; 0322
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chloro-6-methylpyrazine(38557-71-0)1HNMR
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