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Cas Database |
| Name |
Methyl pyrazine-2-carboxylate |
EINECS | 228-198-6 |
| CAS No. | 6164-79-0 | Density | 1.213 g/cm3 |
| PSA | 52.08000 | LogP | 0.26320 |
| Solubility | N/A | Melting Point |
57-61 °C(lit.) |
| Formula | C6H6N2O2 | Boiling Point | 220.4 °C at 760 mmHg |
| Molecular Weight | 138.126 | Flash Point | 87.1 °C |
| Transport Information | N/A | Appearance | white powder |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Pyrazinecarboxylicacid, methyl ester (7CI,8CI,9CI);Pyrazinoic acid methyl ester (6CI);2-Methoxycarbonylpyrazine;Methyl 2-pyrazinecarboxylate;Methylpyrazinecarboxylate;Methyl pyrazinoate;NSC 32337;Pyrazine-2-carboxylic acid,methyl ester; |
Article Data | 66 |
Methyl pyrazine-2-carboxylate Synthetic route
- 186581-53-3, 908094-01-9
diazomethane
- 98-97-5
2-pyrazylcarboxylic acid
- 6164-79-0
methyl pyrazine-2-carboxylate
| Conditions | Yield |
|---|---|
| In diethyl ether; dichloromethane at 20℃; for 0.25h; | 100% |
- 14508-49-7
2-chloropyrazin
- 67-56-1
methanol
- 201230-82-2
carbon monoxide
- 6164-79-0
methyl pyrazine-2-carboxylate
| Conditions | Yield |
|---|---|
| With dichloro[2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]palladium(II); triethylamine at 100℃; under 2585.74 Torr; for 4h; | 99% |
| With 1,3-bis-(diphenylphosphino)propane; palladium diacetate; triethylamine In acetonitrile at 180℃; under 25502.6 Torr; Flow reactor; | 61% |
| With triethylamine; palladium bis(dibenzylideneacetone)palladium(0); triphenylphosphine at 120℃; under 29420.3 Torr; for 16h; other chloropyrazines; | 93 % Chromat. |
| With ethyl azide; triphenylphosphine; bis(dibenzylideneacetone)-palladium(0) at 120℃; under 29420.3 Torr; for 16h; | 93 % Chromat. |
| Conditions | Yield |
|---|---|
| With sulfuric acid for 2h; Reflux; | 98% |
| With sulfuric acid for 48h; Heating; | 95% |
| With sulfuric acid at 80 - 85℃; for 5h; | 94.8% |
| Conditions | Yield |
|---|---|
| With sodium persulfate; sulfuric acid; silver nitrate In dichloromethane; water for 1.5h; Heating; | 93% |
| Conditions | Yield |
|---|---|
| With Eosin Y; di-tert-butyl 1,4-dihydro-2,6-dimethyl-3,5-pyridine-dicarboxylate In acetonitrile at 20℃; for 5h; Inert atmosphere; Irradiation; chemoselective reaction; | 88% |
| Conditions | Yield |
|---|---|
| Stage #1: 2-pyrazylcarboxylic acid With sulfuric acid In methanol at 20℃; for 5h; Reflux; Stage #2: With sodium hydrogencarbonate In methanol pH=8.5; | 63.63% |
| Multi-step reaction with 2 steps 1: 74 percent / SOCl2 / benzene / 2 h / Heating 2: pyridine / CH2Cl2 / a) 0 deg C, 1 h, b) RT, overnight View Scheme | |
| With thionyl chloride; sodium bicarbonate In methanol; di-isopropyl ether; water | |
| With sulfuric acid; sodium hydrogencarbonate In methanol; toluene |
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide for 72h; | 8% |
- 73763-86-7
3-[(methyloxy)carbonyl]-2-pyrazinecarboxylic acid
- 6164-79-0
methyl pyrazine-2-carboxylate
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane a) 0 deg C, 1 h, b) RT, overnight; |
- 13925-00-3
2-ethylpyrazine
- 6164-79-0
methyl pyrazine-2-carboxylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium permanganate / H2O / 20 °C 2: HCl View Scheme |
Methyl pyrazine-2-carboxylate Specification
The IUPAC name of 2-Pyrazinecarboxylic acid, methyl ester is methyl pyrazine-2-carboxylate. With the CAS registry number 6164-79-0 and EINECS 228-198-6, it is also named as Pyrazinoic acid methyl ester. The product's categories are Heterocycles; Pharmacetical; Piperazine Series; Esters; Pyrazines, Pyrimidines & Pyridazines; Pyrazine; Building Blocks; Heterocyclic Building Blocks. It is powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.32; (4)ACD/LogD (pH 7.4): -0.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.89; (8)ACD/KOC (pH 7.4): 15.89; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 34.2 cm3; (15)Molar Volume: 113.7 cm3; (16)Polarizability: 13.56×10-24 cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Enthalpy of Vaporization: 45.68 kJ/mol; (19)Vapour Pressure: 0.113 mmHg at 25°C; (20)Rotatable Bond Count: 2; (21)Exact Mass: 138.042927; (22)MonoIsotopic Mass: 138.042927; (23)Topological Polar Surface Area: 52.1; (24)Heavy Atom Count: 10; (25)Complexity: 127.
Preparation of 2-Pyrazinecarboxylic acid, methyl ester: It can be obtained by pyrazine-2-carboxylic acid and methanol. This reaction needs reagent conc. H2SO4 by heating. The reaction time is 48 hours. The yield is 95%.
Uses of 2-Pyrazinecarboxylic acid, methyl ester: It can react with methylhydrazine to get pyrazine-2-carboxylic acid-(N'-methyl-hydrazide). This reaction needs solvent ethanol by heating. The yield is 81.1%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC)c1nccnc1
2. InChI:InChI=1/C6H6N2O2/c1-10-6(9)5-4-7-2-3-8-5/h2-4H,1H3
3. InChIKey:TWIIRMSFZNYMQE-UHFFFAOYAU
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