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Home > Encyclopedia > 8-Chloro-1,2,4-triazolo[4,3-a]pyrazine

8-Chloro-1,2,4-triazolo[4,3-a]pyrazine

8-Chloro-1,2,4-triazolo[4,3-a]pyrazine structure

8-Chloro-1,2,4-triazolo[4,3-a]pyrazine 

structure
  • CAS No:

    68774-77-6

  • Formula:

    C5H3ClN4

  • Chemical Name:

    8-Chloro-1,2,4-triazolo[4,3-a]pyrazine

  • Synonyms:

    1,2,4-Triazolo[4,3-a]pyrazine,8-chloro-;8-Chloro-1,2,4-triazolo[4,3-a]pyrazine;8-Chloro-[1,2,4]triazolo[4,3-a]pyrazine

8-Chloro-1,2,4-triazolo[4,3-a]pyrazine Basic Attributes

154.56

154.56

DTXSID70503331

2933990090

Characteristics

43.1

1.1

Brown Solid

1.7±0.1 g/cm3

215-220℃

1.792

Safety Information

3

22-36/37/38

26

Xn

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

8-Chloro-1,2,4-triazolo[4,3-a]pyrazine Use and Manufacturing

It was stirred for 4 hours at reflux mixture of the compound obtained in Step 1 (8 g) and triethyl orthoformate (32 mL). The reaction solution was cooled to room temperature, the precipitated solid was washed after filtration, with ethanol, To give the title compound followed by drying under reduced pressure (8.10g, 95percent).A mixture of l-(3-chloropyrazin-2-yl)hydrazine (0.90 g, 62 mmol), triethyl orthoformate (2.3 mL), 14 mmol), and dry xylene (15 mL) was refluxed with stirring for 2 h. The mixture was brought to RT, diethyl ether was added and the suspension was filtered. The solid collected was washed with diethyl ether to afford 8-chloro-[l, 2, 4]triazolo[4, 3- ajpyrazine (0.60 g, 62percent yield). MS m/z: 155.0 (M+l).Step 3: Compound 49A is added to trimethyl orthoformate, The temperature was raised to reflux for 10 hours, cooled to room temperature, and filtered.Obtaining Compound 49B Solid(2 g, yield 70percent).

Computed Properties

Molecular Weight:154.56
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Exact Mass:154.0046238
Monoisotopic Mass:154.0046238
Topological Polar Surface Area:43.1
Heavy Atom Count:10
Complexity:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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