1-Tritylimidazole-4-carboxaldehyde Chemical Properties

Melting point:

180-190°C

Boiling point:

502.8±45.0 °C(Predicted)

Density 

1.10±0.1 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

solubility 

Acetonitrile (Slightly), Methanol (Slightly)

form 

solid

pka

2.28±0.61(Predicted)

color 

White to brown

InChI

InChI=1S/C23H18N2O/c26-17-22-16-25(18-24-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H

InChIKey

YQYLLBSWWRWWAY-UHFFFAOYSA-N

SMILES

C1N(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C(C=O)N=1

CAS DataBase Reference

33016-47-6(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39-37

Hazard Note 

Irritant

HS Code 

29332900

MSDS

• Language:English Provider:ALFA

1-Tritylimidazole-4-carboxaldehyde Usage And Synthesis

Uses

1-Tritylimidazole-4-carboxaldehyde is used in the synthesis of histamine and girolline

Synthesis

Example 33: Synthesis of 1-trityl-1H-imidazole-4-carbaldehyde 4-Imidazolecarboxaldehyde (30.0 g, 0.30 mol) was dissolved in DMF (200 mL) and triethylamine (70 mL, 0.375 mol) was added slowly under cooling in an ice bath. Triphenylchloromethane (105 g, 0.375 mol) was then added in batches and the reaction mixture was stirred at room temperature overnight. After completion of the reaction, the solvent was removed by vacuum evaporation and the residue was washed with anhydrous ether (4 x 50 mL) and dried to give a yellow solid 1-tritylimidazole-4-carboxaldehyde (100 g, 100%).

References

[1] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 23, p. 7993 - 8002
[2] Patent: WO2008/4096, 2008, A1. Location in patent: Page/Page column 79
[3] Journal of Medicinal Chemistry, 2002, vol. 45, # 1, p. 177 - 188
[4] European Journal of Organic Chemistry, 2015, vol. 2015, # 18, p. 3957 - 3962
[5] Patent: US2004/122018, 2004, A1. Location in patent: Page 317

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