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5-Chloropyrazine-2-carboxylic acid

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Name

5-Chloropyrazine-2-carboxylic acid

EINECS 636-844-7
CAS No. 36070-80-1 Density 1.579 g/cm3
PSA 63.08000 LogP 0.82820
Solubility N/A Melting Point 150-151℃
Formula C5H3ClN2O2 Boiling Point 330.9 °C at 760 mmHg
Molecular Weight 158.544 Flash Point 153.9 °C
Transport Information N/A Appearance light yellow solid powder
Safety Risk Codes  Xi:;
Molecular Structure Molecular Structure of 36070-80-1 (5-CHLORO-PYRAZINE-2-CARBOXYLIC ACID) Hazard Symbols IrritantXi
Synonyms

Pyrazinecarboxylicacid, 5-chloro- (9CI);5-Chloropyrazinoicacid;

Article Data 20

5-Chloropyrazine-2-carboxylic acid Synthetic route

33332-25-1

methyl 5-chloropyrazine-2-carboxylate

36070-80-1

5-chloropyrazinoic acid

Conditions
ConditionsYield
With potassium carbonate In tetrahydrofuran; water at 25℃; for 42h;96%
Stage #1: methyl 5-chloropyrazine-2-carboxylate With methanol; sodium hydroxide; water In tetrahydrofuran at 0 - 20℃; for 5h;
Stage #2: With hydrogenchloride In tetrahydrofuran; methanol; water
92%
With hydrogenchloride; potassium carbonate In tetrahydrofuran; water91%
34604-60-9

5-hydroxypyrazinoic acid

36070-80-1

5-chloropyrazinoic acid

Conditions
ConditionsYield
With thionyl chloride In N,N-dimethyl-formamide at 80℃; for 16h;93%
With thionyl chloride; N,N-dimethyl-formamide for 16h; Reflux;75%
Multi-step reaction with 2 steps
1: thionyl chloride; N,N-dimethyl-formamide / 4 h / 75 °C
2: water
View Scheme
34604-60-9

4,5-dihydro-5-oxo-2-pyrazinecarboxylic acid

36070-80-1

5-chloropyrazinoic acid

Conditions
ConditionsYield
With phosphorus pentachloride In toluene at 80℃; for 2h; Large scale;85.6%
82619-63-4

2-chloro-5-furan-2-yl-pyrazine

36070-80-1

5-chloropyrazinoic acid

Conditions
ConditionsYield
With potassium permanganate; Aliquat 336 In water; benzene at 0 - 40℃; for 4h;78%
With potassium permanganate; Aliquat 336 In water; benzene at 15 - 20℃; for 4.5h;76%
82619-62-3

2-Hydroxy-5-(2'-furyl)pyrazine

36070-80-1

5-chloropyrazinoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 52 percent / POCl3 / 3 h / Heating
2: 76 percent / KMnO4 / tricaprylmethylammonium chloride / benzene; H2O / 4.5 h / 15 - 20 °C
View Scheme
33332-25-1

methyl 5-chloropyrazine-2-carboxylate

111-27-3

hexan-1-ol

A

668972-67-6

5-(hexyloxy)pyrazine-2-carboxylic acid

B

668972-68-7

hexyl 5-hexyloxypyrazine-2-carboxylate

C

36070-80-1

5-chloropyrazinoic acid

Conditions
ConditionsYield
Stage #1: hexan-1-ol With sodium at 60℃; for 0.75h;
Stage #2: methyl 5-chloropyrazine-2-carboxylate at 50℃; for 0.583333h;
88625-23-4

5-chloropyrazine-2-carbonyl chloride

36070-80-1

5-chloropyrazinoic acid

Conditions
ConditionsYield
With water
57005-60-4

1,6-dihydro-6-oxo-2,3-pyrazinedicarbonitrile

36070-80-1

5-chloropyrazinoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sodium hydroxide / water / 6 h / 100 °C / Large scale
2.1: Aliquat 336 / sulfolane; toluene / 2.5 h / 150 °C / Dean-Stark; Large scale
2.2: Large scale
3.1: phosphorus pentachloride / toluene / 2 h / 80 °C / Large scale
View Scheme

sodium 3-carboxy-6-oxo-1H-pyrazine-2-carboxylate

36070-80-1

5-chloropyrazinoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: Aliquat 336 / sulfolane; toluene / 2.5 h / 150 °C / Dean-Stark; Large scale
1.2: Large scale
2.1: phosphorus pentachloride / toluene / 2 h / 80 °C / Large scale
View Scheme
36070-80-1

5-chloropyrazinoic acid

34604-60-9

5-hydroxypyrazinoic acid

Conditions
ConditionsYield
With sodium hydroxide for 1h; Heating;100%

5-Chloropyrazine-2-carboxylic acid Chemical Properties

Product Name: 5-chloro-2-Pyrazinecarboxylic acid (CAS NO.36070-80-1)

Molecular Formula: C5H3ClN2O2
Molecular Weight: 158.54252g/mol
Mol File: 36070-80-1.mol
Boiling point: 330.9 °C at 760 mmHg
Flash Point: 153.9 °C
Density: 1.579 g/cm3
Surface Tension: 73.2 dyne/cm
Enthalpy of Vaporization: 60.53 kJ/mol
Vapour Pressure: 6.48E-05 mmHg at 25°C
XLogP3-AA: 0.1
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 5-chloro-2-Pyrazinecarboxylic acid (CAS NO.36070-80-1):
  IUPAC Name: 5-chloropyrazine-2-carboxylic acid
  Canonical SMILES: C1=C(N=CC(=N1)Cl)C(=O)O
  InChI: InChI=1S/C5H3ClN2O2/c6-4-2-7-3(1-8-4)5(9)10/h1-2H,(H,9,10) 
  InChIKey: FXJOTWLLDJYKAG-UHFFFAOYSA-N
Product Categories: Piperazine series; API intermediates; Pyrazines; Carboxylic Acids; Pyrazines, Pyrimidines & Pyridazines

5-Chloropyrazine-2-carboxylic acid Safety Profile

Safety Information of 5-chloro-2-Pyrazinecarboxylic acid (CAS NO.36070-80-1):
Hazard Codes: XiIrritant
HazardClass: IRRITANT

5-Chloropyrazine-2-carboxylic acid Specification

 5-chloro-2-Pyrazinecarboxylic acid , its CAS NO. is 36070-80-1, the synonyms are 5-Chloropyrazinoic acid ; Pyrazinecarboxylic acid, 5-chloro- .

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