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670-96-2

Basic Information
CAS No.: 670-96-2
Name: 2-Phenylimidazole
Article Data: 96
Molecular Structure:
Molecular Structure of 670-96-2 (2-Phenylimidazole)
Formula: C9H8N2
Molecular Weight: 144.176
Synonyms: 2-phenylimidazole isocyanuric acid adduct;1H-Imidazole, 2-phenyl-;Imidazole, 2-phenyl-;Curezol 2PZ;2-Phenyl-1H-imidazole;
EINECS: 211-581-7
Density: 1.141 g/cm3
Melting Point: 142-148 °C(lit.)
Boiling Point: 340 °C at 760 mmHg
Flash Point: 180.4 °C
Appearance: colorless to beige chunks or granular powder
Hazard Symbols: IrritantXi, HarmfulXn
Risk Codes: 36/37/38-21/22
Safety: 26-36-36/37
PSA: 28.68000
LogP: 2.07670
Synthetic route

2-phenyl-1-tosyl-1H-imidazole

670-96-2

2-Phenylimidazole

Conditions
ConditionsYield
With caesium carbonate In tetrahydrofuran; methanol at 22℃; for 0.5h;100%
With lithium hydroxide; mercaptoacetic acid In N,N-dimethyl-formamide at 20℃; for 2.5h;88%
With mercaptoacetic acid; lithium hydroxide In N,N-dimethyl-formamide at 20℃; Inert atmosphere;88%
With formic acid; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 24h; Inert atmosphere; Sealed tube; Irradiation;80%
With cetyltrimethylammonim bromide; potassium hydroxide In tetrahydrofuran; water for 7h; Reflux; Green chemistry;

2-phenyl-imidazole-1-carboxylic acid benzyl ester

670-96-2

2-Phenylimidazole

Conditions
ConditionsYield
With dimethylamine borane; potassium carbonate; triphenylphosphine; bis(triphenylphosphine)nickel(II) chloride In acetonitrile at 40℃; for 7h; Product distribution; Further Variations:; Catalysts; reaction times;97%
936-49-2

2-phenyl-2-imidazoline

670-96-2

2-Phenylimidazole

Conditions
ConditionsYield
With barium permanganate In dichloromethane for 24h; Heating;96%
With potassium permanganate; montmorillonite K-10 In acetonitrile at 20℃; for 1h;95%
With 1 wt percent Rh0 photodeposited TiO2 nanoparticles In isopropyl alcohol at 20℃; for 48h; Irradiation; Inert atmosphere; Sealed tube;94%

2-phenyl-imidazole-1-carboxylic acid allyl ester

670-96-2

2-Phenylimidazole

Conditions
ConditionsYield
With dimethylamine borane; caesium carbonate; triphenylphosphine; bis(triphenylphosphine)nickel(II) chloride In acetonitrile at 40℃;96%
37734-89-7

1-benzyl-2-phenyl-1H-imidazole

670-96-2

2-Phenylimidazole

Conditions
ConditionsYield
With potassium tert-butylate; oxygen; dimethyl sulfoxide at 25℃; for 0.25h;94%
With triethylsilane; palladium 10% on activated carbon In tetrahydrofuran at 20℃; for 24h; Inert atmosphere;45%
16265-04-6

2-chloro-1H-imidazole

98-80-6

phenylboronic acid

670-96-2

2-Phenylimidazole

Conditions
ConditionsYield
With tetrabutylammomium bromide; potassium carbonate In water at 60℃; for 8h; Suzuki coupling;92%
With potassium carbonate In ethanol; water at 50℃; for 4h; Suzuki-Miyaura coupling reaction; Inert atmosphere;90%
With tetrabutylammomium bromide; potassium carbonate In water at 60℃; for 6h; Suzuki coupling;90%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water; toluene at 60℃; for 3h;68%
98-88-4

benzoyl chloride

107-15-3

ethylenediamine

670-96-2

2-Phenylimidazole

Conditions
ConditionsYield
With H6[PMo9V3O40] In acetonitrile at 90℃; for 2h;90%
100-52-7

benzaldehyde

107-15-3

ethylenediamine

670-96-2

2-Phenylimidazole

Conditions
ConditionsYield
With tribromide-modified silica-coated magnetic nanoparticles (Fe3O4/SiO2/(CH2)3N+Me3Br3) In neat (no solvent) at 80℃; for 0.25h; Green chemistry;90%
288-32-4

1H-imidazole

591-50-4

iodobenzene

670-96-2

2-Phenylimidazole

Conditions
ConditionsYield
With copper(l) iodide; palladium diacetate In N,N-dimethyl-formamide at 140℃; for 48h;89%
With copper(l) iodide; magnesium oxide; triphenylphosphine; palladium diacetate In 1,4-dioxane at 150℃; for 12h;83%
With copper(l) iodide; magnesium oxide; triphenylphosphine; palladium diacetate In 1,4-dioxane at 150℃; for 12h;83%
1219080-61-1

(1H-imidazol-2-yl)boronic acid

80-17-1

benzenesufonyl hydrazide

670-96-2

2-Phenylimidazole

Conditions
ConditionsYield
With palladium diacetate; potassium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In tert-butyl methyl ether at 60℃; for 6h; Suzuki Coupling;83%
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    CAS No. 670-96-2 English name 2-Phynylimidazole Molecular formula C9H8N2 Molecular weight 144.1732 Structural formula 2-phenylimidazole Product image 2-phenylimidazole System number Quality standard: Q/320922CALE007-2013 Physical and chemica

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Specification

The IUPAC name of 2-Phenylimidazole is 2-phenyl-1H-imidazole. With the CAS registry number 670-96-2 and EINECS 211-581-7, it is also named as 1H-Imidazole, 2-phenyl-. The product's categories are Industrial / Fine Chemicals; Imidazoles; Imidaxoles; Building Blocks; Heterocyclic Building Blocks. It is colorless to beige chunks or granular powder which should be sealed in the container and stored in the cool and dry place which must be away from oxidant.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 10.23; (7)ACD/KOC (pH 5.5): 6.41; (8)ACD/KOC (pH 7.4): 162.43; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 43.36 cm3; (15)Molar Volume: 126.2 cm3; (16)Polarizability: 17.19×10-24 cm3; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.141 g/cm3; (19)Flash Point: 180.4 °C; (20)Enthalpy of Vaporization: 56.04 kJ/mol; (21)Boiling Point: 340 °C at 760 mmHg; (22)Vapour Pressure: 0.000174 mmHg at 25°C.

Preparation of 2-Phenylimidazole: It can be obtained by benzene and 2-diazo-2H-imidazole. This reaction needs irradiation. The yield is 65%.

2-Phenylimidazole can be obtained by benzene and 2-diazo-2H-imidazole

Uses of 2-Phenylimidazole: It can be used as curing agent of epoxy, polyurethane and as intermediate of pharmaceutical, pesticide and dye. What's more, it can react with bromoethane to get 1-ethyl-2-phenyl-1H-imidazole. This reaction needs reagent NaOC2H5 and solvent ethanol by heating. The reaction time is 4 hours. The yield is 66%.

2-Phenylimidazole can react with bromoethane to get 1-ethyl-2-phenyl-1H-imidazole

When you are using this chemical, please be cautious about it as the following:
It is not only harmful in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and gloves.

People can use the following data to convert to the molecule structure. 
1. SMILES:n1ccnc1c2ccccc2
2. InChI:InChI=1/C9H8N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H,(H,10,11)
3. InChIKey:ZCUJYXPAKHMBAZ-UHFFFAOYAE