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CAS RN: 152120-55-3 | 产品编码: B3605
N,N'-Bis(carbobenzoxy)-1H-pyrazole-1-carboxamidine
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| 产品编码 | B3605 |
纯度/分析方法 
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>98.0%(T)(HPLC) |
| 分子式/分子量 | C__2__0H__1__8N__4O__4 = 378.39 |
| 外观与形状（20°C） | 固体 |
| 储存温度
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室温 (15°C以下阴凉干燥处) |
| 包装和容器
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1G-Glass Bottle with Plastic Insert （查看图片） |
| CAS RN | 152120-55-3 |
| Reaxys-RN | 6160514 |
| PubChem物质ID | 125307472 |
| MDL编号 | MFCD02683516 |
技术规格
| Appearance | White to Almost white powder to crystal |
| Purity(HPLC) | min. 98.0 area% |
| Purity(Neutralization titration) | min. 98.0 % |
| Melting point | 91.0 to 95.0 °C |
| NMR | confirm to structure |
物性（参考值）
| 熔点 | 93 °C |
GHS
| 象形图 |
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| 信号词 | Warning |
| 危险性说明 | H315 : Causes skin irritation. H319 : Causes serious eye irritation. |
| 防范说明 | P264 : Wash skin thoroughly after handling. P280 : Wear protective gloves/ eye protection/ face protection. P302 + P352 : IF ON SKIN: Wash with plenty of water. P337 + P313 : If eye irritation persists: Get medical advice/ attention. P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P362 + P364 : Take off contaminated clothing and wash it before reuse. P332 + P313 : If skin irritation occurs: Get medical advice/ attention. |
相关法规
运输信息
| HS编码* | 2933.19-000 |
应用
TCI Practical Example: Di-Cbz Guanidinylation of Amine Using the Pyrazole Derivative
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Used Chemicals
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Procedure
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A solution of 4-bromophenethylamine (200 mg, 1.00 mmol) and 1-[N,N'-(di-Cbz)amidino]pyrazole (416 mg, 1.10 mmol) in THF (1.7 mL) was stirred at ambient temperature for one day. The reaction mixture was concentrated and the residue was purified by column chromatography (ethyl acetate:hexane = 0:100 – 10:90 on silica gel) to give the guanidinylated compound 1 as a pale yellow oil (435 mg, 85% yield.).
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Experimenter’s Comments
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The reaction mixture was monitored by TLC (ethyl acetate:hexane = 1:3, Rf = 0.45).
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Analytical Data
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Guanidinylated Compound 1
1H NMR (270 MHz, DMSO-d6); δ 11.58 (s, 1H), 8.44 (t, J = 6.4 Hz, 1H), 7.49-7.31 (m, 12H), 7.18 (d, J = 8.1 Hz, 2H), 5.20 (s, 2H), 5.04 (s, 2H), 3.55 (brq, J = 6.4 Hz, 2H), 2.80 (t, J = 6.4 Hz, 2H)
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Lead Reference
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- Urethane protected derivatives of 1-guanylpyrazole for the mild and efficient preparation of guanidines
应用
Synthesis of monosubstituted guanidines
Typical procedure (synthesis of bis-Cbz guanidine derivative): To the 1-guanylpyrazole derivative (B3605, 378 mg) was added aniline (102 mg) followed by dry THF (0.4 mL) and the resulting mixture was stirred for 22 h at room temperature. The reaction mixture was purified by column chromatography to give the bis-Cbz guanidine derivative as an oil (379 mg, 94 %).
References
参考文献
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