2,6-Diaminopyridine CAS#: 141-86-6; 凯望编码 (ChemWhat Code): 8589
Identification
| 英文名 | 2,6-Diaminopyridine |
| IUPAC Name | pyridine-2,6-diamine |
| 分子结构 |  |
| CAS编号 | 141-86-6 |
| EINECS Number | 205-507-2 |
| MDL Number | MFCD00006329 |
| Beilstein Registry Number | 108513 |
| 别名 | 2,6-Diaminopyridine, 2.6-diaminopyridine |
| 分子式 | C5H7N3 |
| 分子量 | 109.131 |
| InChI | InChI=1S/C5H7N3/c6-4-2-1-3-5(7)8-4/h1-3H,(H4,6,7,8) |
| InChI Key | VHNQIURBCCNWDN-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=NC(=C1)N)N |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN108218803 | A six-membered imide ring compound and one-pot synthesis of six-membered imide ring compounds (by machine translation) | 2018 |
| WO2015/14900 | DI(HETERO)ARYLAMIDES AND SULFONAMIDES, METHODS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF | 2015 |
| US2010/10189 | GAS-PHASE PROCESS FOR THE SYNTHESIS OF DIAMINOPYRIDINES FROM GLUTARONITRILES | 2010 |
| US2010/29948 | PROCESS FOR THE SYNTHESIS OF DIAMINOPYRIDINES FROM GLUTARONITRILES | 2010 |
| WO2006/82107 | THIAZOLIDINONES FOR USE AS INHIBITORS OF POLO-LIKE KINASE (PLK) | 2006 |
| EP1030648 | DYEING COMPOSITION CONTAINING A PYRAZOLO- 1,5-a]-PYRIMIDINE AS OXIDATION BASE AND A PYRIDINE COUPLING AGENT, AND DYEING METHOD | 2003 |
Physical Data
| Appearance | Light grey to grey crystalline powder |
| Flash Point | 155ºC |
| Boiling Point | 285ºC |
| Water Solubility | 9.9g/100 mL (20 ºC) |
| Partition Coefficient: Noctanol/Water | log Pow: -0.173 |
| Melting Point, °C | Solvent (Melting Point) |
| 119 – 120 | |
| 121 | Method: subl. sample |
| 121.09 – 121.99 | ethanol |
| Density, g·cm-3 | Measurement Temperature, °C | Type (Density) |
| 1.313 | -173.16 | crystallographic |
| Description (Association (MCS)) | Solvent (Association (MCS)) | Temperature (Association (MCS)), °C | Partner (Association (MCS)) |
| NMR spectrum of the complex | CDCl3 | 5-decyl-5-(4-(diphenylphosphino)benzyl)pyrimidine-2,4,6(1H,3H,5H)-trione | |
| Further physical properties of the complex | dimethylformamide | 25 | YCl3*6H2O |
| IR spectrum of the complex | KBr | LaCl3*6H2O | |
| Stability constant of the complex with … | CDCl3 | 23 | 10-Isobutyl-7,8-dimethyl-10H-benzo[g]pteridine-2,4-dione |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts | 1H | dimethylsulfoxide-d6 | 400 | |
| Chemical shifts | 13C | dimethylsulfoxide-d6 | 100 | |
| Chemical shifts | 15N | dimethylsulfoxide-d6 | 30 | |
| Chemical shifts | 15N | nitromethane |
| 2,6-Diaminopyridine CAS#: 141-86-6 NMR |  |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Comment (IR Spectroscopy) |
| Bands, Spectrum | potassium bromide | |
| Bands | acetonitrile | |
| Spectrum | gas | 4000 – 500 cm**(-1) |
| Bands | 3440 – 146 cm**(-1) |
| 2,6-Diaminopyridine CAS#: 141-86-6 Raman |  |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) |
| Spectrum | aq. NaOH | 210 – 250 nm |
| Spectrum | H2O | 210 – 250 nm, pH 8. |
Route of Synthesis (ROS)
| Conditions | Yield |
| With ammonia In water at 190℃; under 18751.9 Torr; for 6h; In a steel autoclave having a glass insert, 10.00 g of 2,6-dibromopyridine (42.2 mmol) were suspended in 50 ml of concentrated aqueous ammonia.The autoclave was closed and heated to 190° C. for 6 h in a heating mantle (pressurized to approx. 25 bar).After the cooling and decompression of the autoclave, the contents were admixed with 100 ml of ethyl acetate and the resulting phases were separated.The aqueous phase was extracted twice with 100 ml of ethyl acetate each time, the combined organic phases were dried over Na2SO4 and the solvent was removed under reduced pressure. The residue was dissolved in 250 ml of cyclohexane/ethyl acetate (1:1) to remove 2,6-diaminopyridine which had formed, filtered together with a further 250 ml of cyclohexane/ethyl acetate (1:1) through a short silica gel column (5*20 cm), and freed of solvent under reduced pressure.Sublimation of the residue at 90° C. and 10-1 mbar afforded 6.49 g (37.5 mmol, 88.9percent) of 6-bromo-2-aminopyridine as a white solid. | A n/a B 88.9% |
| With ammonium hydroxide at 180℃; | |
| With copper(I) oxide; potassium carbonate; ammonium hydroxide; N,N-dimethylethylenediamine In ethylene glycol at 60℃; for 16h; Inert atmosphere; |
Safety and Hazards
| Pictogram(s) |   |
| Signal | Danger |
| GHS Hazard Statements | H301: Toxic if swallowed [Danger Acute toxicity, oral] H312: Harmful in contact with skin [Warning Acute toxicity, dermal] H315: Causes skin irritation [Warning Skin corrosion/irritation] H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P261, P264, P270, P271, P272, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | Not dangerous goods |
| Under the room temperature and away from light | |
| HS Code | 294200 |
| Storage | In summer, the appearance of 2,6-Diaminopyridine will change very quickly(but quality won’t change), maybe will become a little dark than its natural color(Light gray crystalline powder) under 1~2 months high temperature. (But in the shipping of around 10 days, its appearance won’t change.) Please store it in room temperature(0°C is better) for long time, in container tightly sealed; Protect from light. |
| Shelf Life | 1 year |
| Market Price | USD 60/kg |
| Use Pattern |
| Used as an agrochemical intermediate |
| Oxidizing dye for hair dyeing agent |
| Component of wool coloring compositions |
| Component of feather coloring compositions |
| pigments/colorants |
| dye agent |
| Coupling agent |
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