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CAS RN: 41864-22-6 | Product Number: C2325
1,1'-Carbonyldi(1,2,4-triazole)
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Purity: >97.0%(T)
Synonyms:
- 1,1'-Carbonylbis(1,2,4-triazole)
- CDT
Product Documents:
| Size | Unit Price | Belgium | Japan* | Quantity |
Shipping Information
|
|---|---|---|---|---|---|
| 5G |
€106.00
|
2 | 8 |
|
|
| 25G |
€364.00
|
1 | 2 |
|
* Stock available in Belgium: Shipment on the same day
* Stock available in Japan: Please check the Shipping Simulation for estimated shipments. (excludes regulated items and dry ice shipments)
| Product Number | C2325 |
Purity / Analysis Method 
|
>97.0%(T) |
| Molecular Formula / Molecular Weight | C__5H__4N__6O = 164.13 |
| Physical State (20 deg.C) | Solid |
| Storage Temperature
|
Refrigerated (0-10°C) |
| Store Under Inert Gas | Store under inert gas |
| Condition to Avoid | Moisture Sensitive,Heat Sensitive |
| CAS RN | 41864-22-6 |
| Reaxys Registry Number | 10250 |
| PubChem Substance ID | 87560964 |
| MDL Number | MFCD00043399 |
Specifications
| Appearance | White to Almost white powder to crystal |
| Purity(Nonaqueous Titration) | min. 97.0 % |
| Melting point | 148.0 to 152.0 °C |
| NMR | confirm to structure |
Properties (reference)
| Melting Point | 150 °C |
| Solubility (soluble in) | Methanol |
GHS
| Pictogram |
|
| Signal Word | Danger |
| Hazard Statements | H302 : Harmful if swallowed. H318 : Causes serious eye damage. |
| Precautionary Statements | P501 : Dispose of contents/ container to an approved waste disposal plant. P270 : Do not eat, drink or smoke when using this product. P264 : Wash skin thoroughly after handling. P280 : Wear eye protection/ face protection. P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth. P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor. |
Related Laws:
Transport Information:
| HS Number | 2933998090 |
Application
TCI Practical Example: Condensation Using 1,1’-Carbonyldi(1,2,4-triazole)
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Used Chemicals
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Procedure
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To a solution of compound 3-(3,4-dimethoxyphenyl)propionic acid (0.10 g, 0.48 mmol), CDT (0.10 g, 0.62 mmol) in dichloromethane (5.0 mL) was added triethylamine (0.086 mL, 0.62 mmol) at ambient temperature and stirred at same temperature for 30 minutes. The mixture was added 4-methylbenzylamine (0.078 mL, 0.62 mmol) stirred at same temperature for 1 hour. After reaction completed, the solvent was removed under reduced pressure and the residue was purified by column chromatography (ethyl acetate:hexane = 3:7 - 1:1 on silica gel) to give 1 (0.15 g，y. 91%) as a white solid.
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Experimenter’s Comments
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The reaction mixture was monitored by UPLC.
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Analytical Data
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compound 1
1H NMR (400 MHz, CDCl3); δ 7.10 (2H, d, J = 8.0 Hz), 7.05 (2H, d, J = 8.0 Hz), 6.78-6.70 (3H, m), 5.58 (1H, brs), 4.36 (2H, d, J = 5.6 Hz), 3.85 (3H, s), 3.83 (3H, s), 2.94 (2H, t, J = 7.6 Hz), 2.48 (2H, t, J = 7.6 Hz), 2.32 (3H, s).
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Lead Reference
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- Circular dichroism exciton chirality method. New red-shifted chromophores for hydroxyl groups
Application
Condensing Agent
Experimental procedure: A solution of p-(dimethylamino)cinnamic acid 1 (500 mg, 2.6 mmol) and CDT (480 mg, 2.9 mmol) in CH2Cl2 (50 mL) and acetone (10 mL) is stirred at room temperature for 4 h. The solution is then washed with saturated aqueous NaHCO3 (3 x 20 mL) and brine (20 mL) and dried (Na2SO4). The organic layer is concentrated under reduced pressure to give (dimethylamino)cinnamoyl triazole 2 (484 mg, 81%).
To a solution (1R, 2R)-trans-cyclohexanediol (3.0mg, 0.026 mmol) and 2 (22 mg, 0.1 mmol) in CH2Cl2 (2 mL) is added a solution of DBU (ca. 0.04 mL, 0.01 mol/L in CH2Cl2). The solution is then stirred at room temperature for 6 h, and it is the concentrated under reduced pressure. The product is isolated by preparative TLC (silica gel, hexane:EtOAc = 2:1) to give the diester 3 (10.1 mg, 84%) as a yellow solid.
To a solution (1R, 2R)-trans-cyclohexanediol (3.0mg, 0.026 mmol) and 2 (22 mg, 0.1 mmol) in CH2Cl2 (2 mL) is added a solution of DBU (ca. 0.04 mL, 0.01 mol/L in CH2Cl2). The solution is then stirred at room temperature for 6 h, and it is the concentrated under reduced pressure. The product is isolated by preparative TLC (silica gel, hexane:EtOAc = 2:1) to give the diester 3 (10.1 mg, 84%) as a yellow solid.
Reference
- Circular dichroism exciton chirality method. New red-shifted chromophores for hydroxyl groups
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