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Cas Database |
| Name |
2-Methyl-4,5-diphenylthiazole |
EINECS | 223-161-0 |
| CAS No. | 3755-83-7 | Density | 1.147 g/cm3 |
| PSA | 41.13000 | LogP | 4.78550 |
| Solubility | N/A | Melting Point |
44-50 °C(lit.) |
| Formula | C16H13NS | Boiling Point | 370.2 °C at 760 mmHg |
| Molecular Weight | 251.352 | Flash Point | 174.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-Methyl-4,5-diphenylthiazole;4,5-Diphenyl-2-methylthiazole;NSC 59791; |
Article Data | 10 |
2-Methyl-4,5-diphenylthiazole Synthetic route
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 65℃; for 8h; | 97% |
| In N,N-dimethyl-formamide at 20℃; for 6h; Condensation; | 91% |
| With ethanol |
| Conditions | Yield |
|---|---|
| With triphenylphosphine; copper dichloride; lithium tert-butoxide In 5,5-dimethyl-1,3-cyclohexadiene; N,N-dimethyl acetamide at 140℃; for 12h; Inert atmosphere; | 73% |
| Conditions | Yield |
|---|---|
| (i) (bromination), (ii) /BRN= 506006/, EtOH; Multistep reaction; |
| Conditions | Yield |
|---|---|
| (i) P2S5, dioxane, (ii) /BRN= 744474/; Multistep reaction; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 98 percent / bromine / CHCl3 / 3 h / Heating 2: 97 percent / dimethylformamide / 8 h / 65 °C View Scheme |
| Conditions | Yield |
|---|---|
| With Lawessons reagent at 70℃; for 24h; Inert atmosphere; Ionic liquid; |
- 3755-83-7
4,5-diphenyl-2-methyl-thiazole
| Conditions | Yield |
|---|---|
| With ammonium acetate; acetic acid In tetrahydrofuran; toluene for 6h; Reflux; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: tetrahydrofuran / 3 h / 20 °C / Inert atmosphere 2: ammonium acetate; acetic acid / tetrahydrofuran; toluene / 6 h / Reflux View Scheme |
- 3755-83-7
4,5-diphenyl-2-methyl-thiazole
| Conditions | Yield |
|---|---|
| In 2-methoxy-ethanol; water under N2; IrCl3*3H2O (0.500 g) and org. ligand (3.35 mmol) dissolved in 2-methoxyethanol-H2O (3:1); refluxed (24 h); cooled to room temp.; ppt. filtered under N2; washed with 95% EtOH and acetone; dissolved in CH2Cl2; filtered; soln. evapd. to dryness; elem. anal.; | 80% |
2-Methyl-4,5-diphenylthiazole Specification
The 2-Methyl-4,5-diphenylthiazole ,its cas register number is 3755-83-7.It also can be called as Thiazole,2-methyl-4,5-diphenyl- and the IUPAC name about this chemical is 2-Methyl-4,5-diphenyl-1,3-thiazole .It belongs to the following product categories, such as Heterocyclic Compounds, Building Blocks, Heterocyclic Building Blocks, Thiazoles and so on. It can be used as pharmaceutical intermediates.
Following are the chemical properties about 2-Methyl-4,5-diphenylthiazole :(1)#H bond acceptors: 1 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 41.13Å2 ; (5)Index of Refraction: 1.618 ; (6)Molar Refractivity: 76.73 cm3 ; (7)Molar Volume: 218.9 cm3 ; (8)Polarizability: 30.42x10-24cm3 ; (9)Surface Tension: 45.5 dyne/cm ; (10)Enthalpy of Vaporization: 59.28 kJ/mol ; (11)Vapour Pressure: 2.4E-05 mmHg at 25°C
The 2-Methyl-4,5-diphenylthiazole is a dangerous chemical, because it irritating to eyes, respiratory system and skin. In the using process, you need to wear suitable protective clothing and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
This chemical can be described computed from structure:
(1)Canonical SMILES: CC1=NC(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3
(2)InChI: InChI=1S/C16H13NS/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11H,1H3
(3)InChIKey: ZFYWCVZNRMSXBT-UHFFFAOYSA-N
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