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2,5-Dichloropyrazine

2,5-Dichloropyrazine structure

CAS No:
19745-07-4
Formula:
C4H2Cl2N2
Chemical Name:
2,5-Dichloropyrazine
Synonyms:
2,5-Dichloropyrazine;pyrazine, 2,5-dichloro-;2,5-Dichloro-pyrazine;MFCD04117886;NSC349788;PubChem23583;ACMC-20a0sg;3,6-DICHLOROPYRAZINE;KSC493A6R;SCHEMBL933680
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Colorless liquid

2,5-Dichloropyrazine Basic Attributes

Molecular Weight：

148.98

Exact Mass：

147.959503

NSC Number：

349788

DSSTox ID：

DTXSID40319709

HScode：

29339900

Characteristics

PSA：

25.8

XLogP3：

1.6

Appearance：

Yellow liquid

Density：

1.493±0.06 g/cm3(Predicted)

Melting Point：

0 °C (approx)

Boiling Point：

184.4±35.0 °C(Predicted)

Flash Point：

81.5±11.5 °C

Refractive Index：

1.559

Vapor Pressure：

1mmHg at 25°C

Safety Information

hazard class code：

22-41

safety instructions：

26-39

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (96.55%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 58 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,5-Dichloropyrazine Use and Manufacturing

Step 2: Into a 250 ml 3-necked round bottom flask, was placed phosphoryl chloride (115 g, 0.75 mol). To the mixture was added XV-A-86(39 g, 0.30 mol), while warming to a temperature of 60-70° C. The resulting solution was heated to reflux, with stirring, for an additional 1 h. After cooling to room temperature, the resulting solution was poured cautiously onto 3000 g of chopped ice with stirring and extracted four times with 800 ml CHDissolved General procedure: m-DCzP, o-DCzP were synthesized by nucleophilic reaction without heavy metal catalysts. Carbazole (0.34 g, 2 mmol), dichloropyrazine (0.148 g, 1 mmol), and K2CO3 (1.136 g, 8 mmol) were mixed in dimethyl sulfoxide (DMSO, 5ml), then the mixture was stirred at 150C for 4 h under a nitrogen atmosphere. After cooling to room temperature, the mixture was poured into water, stirred, and filtered. The residue was dried in vacuum drying over at 60C for 4 h, and thenpurified by column chromatography over silica gel with CH2Cl2/petroleum ether as the eluent to afford a yellow/white solid. To further purify the products, CH2Cl2/ethyl acetate was used as solvents for recrystallization resulting in pure single crystals of p-DCzP, m-DCzP and o-DCzP. They were obtained with high yields (75%) except for o-DCzP which was obtained with only 50% yield.A mixture of tert-butyl (R)-3-(3-amino-4-((trans-4-((tert- butyldimethylsilyl)oxy)cyclohexyl)(isobutyl)amino)phenyl)butanoate (500 mg, 0.97 mmol), l-(Pyridin-2-yl)piperazine (1.64 g, 1.53 ml, 10.1 mmol),

Computed Properties

Molecular Weight:148.98
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Exact Mass:147.9595035
Monoisotopic Mass:147.9595035
Topological Polar Surface Area:25.8
Heavy Atom Count:8
Complexity:68.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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