ChemicalBook--->CAS DataBase List--->939412-86-9

939412-86-9

939412-86-9 Structure

939412-86-9 Structure
IdentificationBack Directory
[Name]

(3-Chloropyrazin-2-yl)MethanaMine hydrochloride
[CAS]

939412-86-9
[Synonyms]

QC-6916
3-Chloro-2-pyrazinemethanamine hydrochloride
3-Chloropyrazine-2-yl-methylamine hydrochloride
(3-Chloropyrazin-2-yl)methanamine hydrochloride 96%
(3-chloropyrazin-2-yl)methanamine,hydrochloride (1:1)
2-Pyrazinemethanamine, 3-chloro-, hydrochloride (1:1)
[Molecular Formula]

C5H7Cl2N3
[MDL Number]

MFCD09910171
[MOL File]

939412-86-9.mol
[Molecular Weight]

180.035
Chemical PropertiesBack Directory
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

solid
[color ]

Yellow
[InChI]

InChI=1S/C5H6ClN3.ClH/c6-5-4(3-7)8-1-2-9-5;/h1-2H,3,7H2;1H
[InChIKey]

YYVVOYJKQZWKFS-UHFFFAOYSA-N
[SMILES]

C(C1=NC=CN=C1Cl)N.Cl
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P260-P280
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

(3-Chloropyrazin-2-yl)MethanaMine hydrochloride(939412-86-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-Chloropyrazine-2-carbonitrile

55557-52-3

(3-Chloropyrazin-2-yl)MethanaMine hydrochloride

939412-86-9

General procedure for the synthesis of (3-chloropyrazin-2-yl)methanamine hydrochloride from 2-chloro-3-cyanopyrazine: To a solution of 3-chloropyrazine-2-carbonitrile (Compound 101) (6.00 g, 43.0 mmol, 1.0 eq.) in acetic acid (50 mL) was added nickel Ruanne (4.00 g). The reaction was carried out for 1.5 days at room temperature under the protection of a hydrogen balloon. After completion of the reaction, the reaction mixture was filtered and the filtrate was collected and dried. The residue was treated by rotary evaporation with toluene (40 mL), 1N HCl (15 mL), and toluene (40 mL) in that order. The resulting residue was dissolved in tetrahydrofuran (30 mL) and filtered to remove insoluble material. The filtrate was rotary evaporated to dryness to give (3-chloropyrazin-2-yl)methylamine hydrochloride (8.75 g, yield: 100%). The product was a black solid.

[References]

[1] Patent: CN106588937, 2017, A. Location in patent: Paragraph 0152; 0158; 0159
[2] Patent: WO2013/10869, 2013, A1. Location in patent: Page/Page column 25
[3] Patent: WO2013/10868, 2013, A1. Location in patent: Page/Page column 29-30
[4] Patent: EP2548877, 2013, A1. Location in patent: Paragraph 0143
[5] Patent: WO2016/24227, 2016, A1. Location in patent: Paragraph 00207
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