Product Name

  • Name

    1-TRITYL-1H-IMIDAZOLE-4-METHANOL

  • EINECS
  • CAS No. 33769-07-2
  • Article Data72
  • CAS DataBase
  • Density 1.1 g/cm3
  • Solubility
  • Melting Point 226-232
  • Formula C23H20N2O
  • Boiling Point 516.1 °C at 760 mmHg
  • Molecular Weight 340.425
  • Flash Point 265.9 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 33769-07-2 (1-TRITYL-1H-IMIDAZOLE-4-METHANOL)
  • Hazard Symbols IrritantXi
  • Synonyms Imidazole-4-methanol,1-trityl- (8CI);(1-Trityl-1H-imidazol-4-yl)methanol;1-(Triphenylmethyl)-4-(hydroxymethyl)imidazole;1-Triphenylmethyl-1H-imidazole-4-methanol;1-Triphenylmethylimidazole-4-methanol;NSC 669641;
  • PSA 38.05000
  • LogP 4.21560

1H-Imidazole-4-methanol,1-(triphenylmethyl)- Specification

The CAS register number of 1H-Imidazole-4-methanol,1-(triphenylmethyl)- is 33769-07-2. It also can be called as 1-(Triphenylmethyl)-4-(hydroxymethyl)imidazole and the systematic name about this chemical is (1-trityl-1H-imidazol-4-yl)methanol. The molecular formula about this chemical is C23H20N2O and the molecular weight is 340.42. It belongs to the following product categories which include blocks; Imidazoles and so on.

Physical properties about 1H-Imidazole-4-methanol,1-(triphenylmethyl)- are: (1)ACD/LogP: 3.66; (2)ACD/LogD (pH 5.5): 3.3; (3)ACD/LogD (pH 7.4): 3.65; (4)ACD/BCF (pH 5.5): 154.36; (5)ACD/BCF (pH 7.4): 350.76; (6)ACD/KOC (pH 5.5): 1011.16; (7)ACD/KOC (pH 7.4): 2297.71; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 27.05 Å2; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 106.74 cm3; (14)Molar Volume: 306.8 cm3; (15)Polarizability: 42.31x10-24cm3; (16)Surface Tension: 45.6 dyne/cm; (17)Density: 1.1 g/cm3; (18)Flash Point: 265.9 °C; (19)Enthalpy of Vaporization: 82.98 kJ/mol; (20)Boiling Point: 516.1 °C at 760 mmHg; (21)Vapour Pressure: 1.77E-11 mmHg at 25 °C.

Preparation: this chemical can be prepared by (1(3)H-imidazol-4-yl)-methanol and chloro-triphenyl-methane. This reaction will need reagent of Et3N and solvent of dimethylformamide.

Uses of 1H-Imidazole-4-methanol,1-(triphenylmethyl)-: it can be used to produce 4-tert-butyldimethylsilyloxymethyl-1-tritylimidazole with tert-butyl-chloro-dimethyl-silane. This reaction will need reagent of imidazole and solvent of dimethylformamide. The reaction time is 14 hours with reaction temperature of 45 °C. The yield is about 98%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(cn(c1)C(c2ccccc2)(c3ccccc3)c4ccccc4)CO
(2)InChI: InChI=1/C23H20N2O/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/h1-16,18,26H,17H2
(3)InChIKey: DVQYFYUODSFBFS-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C23H20N2O/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/h1-16,18,26H,17H2
(5)Std. InChIKey: DVQYFYUODSFBFS-UHFFFAOYSA-N

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