| Company Name: |
Alfa Aesar |
| Tel: |
400-6106006 |
| Email: |
saleschina@alfa-asia.com |
| Company Name: |
Energy Chemical |
| Tel: |
400-0056266 |
| Email: |
sales8178@energy-chemical.com |
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| | 2,4-Diaminoquinazoline Basic information |
| Product Name: | 2,4-Diaminoquinazoline | | Synonyms: | QUINAZOLINE-2,4-DIAMINE;2,4-DIAMINOQUINAZOLINE, 98+%;2,4-Quinazolinediamine;(2-aminoquinazolin-4-yl)amine;2,4-Diaminoquinazoline | | CAS: | 1899-48-5 | | MF: | C8H8N4 | | MW: | 160.18 | | EINECS: | | | Product Categories: | | | Mol File: | 1899-48-5.mol |  |
| | 2,4-Diaminoquinazoline Chemical Properties |
| Melting point | 254-258°C | | storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C | | form | solid | | Appearance | White to yellow Solid | | BRN | 131578 | | InChI | InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12) | | InChIKey | XELRMPRLCPFTBH-UHFFFAOYSA-N | | SMILES | N1=C2C(C=CC=C2)=C(N)N=C1N |
| Hazard Codes | T | | Risk Statements | 36/37/38-36-25 | | Safety Statements | 26-36-45 | | WGK Germany | WGK 3 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Irrit. 2 |
| Provider | Language |
|
ALFA
| English |
| | 2,4-Diaminoquinazoline Usage And Synthesis |
| Synthesis Reference(s) | Journal of Medicinal Chemistry, 33, p. 434, 1990 DOI: 10.1021/jm00163a067 | | Synthesis | 2-Aminobenzonitrile (10.0 g, 84.6 mmol) and cyanoguanidine (7.12 g, 84.6 mmol) were heated and refluxed in 42 ml of aqueous 2N HCl solution for 2 hours. After the reaction was completed, 320 ml of deionized water and 53 ml of 2N NaOH aqueous solution were added to the yellow solution. To remove unreacted feedstock, the reaction mixture was treated with activated carbon and filtered through a short column filled with diatomaceous earth. The filtrate was cooled to 4 °C and 2,4-diaminoquinazoline precipitated as colorless needle-like crystals, which were filtered and recrystallized from water to give 2.90 g (21% yield) of the target product. Melting point: 154-155 °C (literature value: 255-257 °C).1H-NMR (250 MHz, DMSO-d6) δ (ppm): 7.94 (dd, J=8.2 Hz, 1.1 Hz, 1H, Ar-H), 7.47 (dd, J=8.3 Hz, 6.8 Hz, 1.2 Hz, 1H, Ar-H), 7.25 ( br, 2H, NH2), 7.18 (dd, J=8.4 Hz, 0.8 Hz, 1H, Ar-H), 6.99 (ddd, J=8.3 Hz, 6.8 Hz, 1.2 Hz, 1H, Ar-H), 5.98 (s, 2H, NH2).13C-NMR (75.4 MHz, DMSO-d6) δ (ppm): 162.4, 160.7, 152.4, 132.3, 124.1, 123.5, 119.7, 110.3. IR (cm-1): 3505 (s), 3389 (s), 3172 (s), 3083 (m), 2827 (w), 2744 (w), 2669 (w), 2272 (w), 1952 (w). 1690(s), 1658(s), 1633(s), 1574(s), 1512(s), 1482(s), 1418(s), 1380(s), 1341(m), 1286(s), 1253(w), 1184(w), 1157(m), 1131(w), 1080(m), 1029(m). 993(m), 940(w), 928(w), 889(m), 856(m), 798(m), 753(s), 678(m), 590(m). Elemental analysis (C8H8N4, Mr=160.18): calculated values C 59.99%, H 5.03%, N 34.98%; measured values C 59.94%, H 5.08%, N 35.13%. | | References | [1] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 24, p. 5576 - 5580 |
| | 2,4-Diaminoquinazoline Preparation Products And Raw materials |
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