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CAS RN: 41864-22-6 | Product Number: C2325

1,1'-Carbonyldi(1,2,4-triazole)


Purity: >97.0%(T)
Synonyms:
  • 1,1'-Carbonylbis(1,2,4-triazole)
  • CDT
Product Documents:
5G
₹5,700.00
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25G
₹14,800.00
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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
Properties (reference)
Melting Point 150 °C
Solubility (soluble in) Methanol
GHS
Pictogram Pictogram 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:
Application
TCI Practical Example: Condensation Using 1,1’-Carbonyldi(1,2,4-triazole)

TCI Practical Example: Condensation Using 1,1’-Carbonyldi(1,2,4-triazole)

Used Chemicals

Procedure

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.

Experimenter’s Comments

The reaction mixture was monitored by UPLC.

Analytical Data

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).

Lead Reference


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.

Reference


PubMed Literature


Product Articles
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