1-Acetylimidazole supplier | CasNO.2466-76-4

Name
1-Acetylimidazole
EINECS 219-577-7
CAS No. 2466-76-4
Article Data76
CAS DataBase
Density 1.146 g/cm³
Solubility Hydrolyzes in water. Solubility in methanol (almost transparency).
Melting Point 99-105 °C(lit.)
Formula C₅H₆N₂O
Boiling Point 221.955 °C at 760 mmHg
Molecular Weight 110.115
Flash Point 88.035 °C
Transport Information
Appearance white to beige or light tan adhering crystals
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 1H-Imidazole,1-acetyl- (9CI);Imidazole, 1-acetyl- (6CI,8CI);1-Acetyl-1H-imidazole;Acetylimidazole;
PSA 34.89000
LogP 0.54320

Synthetic route

: 288-32-4
1H-imidazole

: 108-24-7
acetic anhydride

: 2466-76-4
N-Acetylimidazole

Conditions

Conditions	Yield
In tetrahydrofuran for 0.5h; Inert atmosphere;	98%
In tetrahydrofuran for 0.5h; Inert atmosphere;	98%
Stage #1: 1H-imidazole; acetic anhydride In ethyl acetate at 20℃; for 9h; Inert atmosphere; Stage #2: With potassium carbonate In ethyl acetate at 20℃; Inert atmosphere;	94%

: 288-32-4
1H-imidazole

: 75-36-5
acetyl chloride

: 2466-76-4
N-Acetylimidazole

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; Inert atmosphere;	96%
Stage #1: 1H-imidazole; acetyl chloride In tetrahydrofuran for 0.5h; Cooling with ice; Inert atmosphere; Stage #2: With triethylamine In tetrahydrofuran at 0℃; for 12h; Inert atmosphere;	94.5%
With triethylamine In tetrahydrofuran at 0℃; for 12h;	93%

: 75-36-5
acetyl chloride

: 18156-74-6
1-(Trimethylsilyl)imidazole

: 2466-76-4
N-Acetylimidazole

Conditions

Conditions	Yield
	96%

: 96503-18-3
Acetic acid 3-hydroperoxy-2,3-dimethyl-4-oxo-3,4-dihydro-naphthalen-1-yl ester

A: 2466-76-4
N-Acetylimidazole

B: 53948-58-6
1a,7a-dimethylnaphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione

Conditions

Conditions	Yield
With 1,1'-carbonyldiimidazole In chloroform for 2h; Ambient temperature;	A 89% B 95%

: 288-32-4
1H-imidazole

: 2735-73-1
1,3-diacetyl-1,3-dihydro-benzoimidazol-2-one

: 2466-76-4
N-Acetylimidazole

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 0.333333h;	80%

: 288-32-4
1H-imidazole

: 108-22-5
Isopropenyl acetate

: 2466-76-4
N-Acetylimidazole

Conditions

Conditions	Yield
With sulfuric acid

: 288-32-4
1H-imidazole

: 30074-98-7
1-Acetyl-4(1H)-pyridinon

: 2466-76-4
N-Acetylimidazole

Conditions

Conditions	Yield
In chloroform-d1 at 20℃;

: 288-32-4
1H-imidazole

: 18773-93-8
1-acetyl-1H-benzotriazole

A: 2466-76-4
N-Acetylimidazole

B: 95-14-7
1,2,3-Benzotriazole

Conditions

Conditions	Yield
With imidazolium buffer pH 5.95 In water; water-d2 at 25℃; Rate constant;

...Expand

: 288-32-4
1H-imidazole

: 15119-62-7
1-acetylsulfanyl-4-nitro-benzene

A: 2466-76-4
N-Acetylimidazole

B: 1849-36-1
para-nitrobenzenethiol

Conditions

Conditions	Yield
In benzene at 25℃; Kinetics; Mechanism; Rate constant; other solvent;

...Expand

: 97730-04-6
tert-butylphenylphosphinic imidazolidosulfuric anhydride

: 75-36-5
acetyl chloride

A: 2466-76-4
N-Acetylimidazole

B: 97730-06-8
tert-butylphenylphosphinic chlorosulfonic anhydride

Conditions

Conditions	Yield
In diethyl ether; dichloromethane for 1h; Ambient temperature; Yield given;

...Expand

: 64-19-7
acetic acid

: 530-62-1
1,1'-carbonyldiimidazole

: 2466-76-4
N-Acetylimidazole

Conditions

Conditions	Yield
In chloroform for 2h; Ambient temperature;
In N,N-dimethyl-formamide for 2h;
In tetrahydrofuran

: 288-32-4
1H-imidazole

: 830-03-5
4-nitrophenol acetate

A: 2466-76-4
N-Acetylimidazole

B: 100-02-7
4-nitro-phenol

Conditions

Conditions	Yield
With dm-3 borate buffer at 25℃; Rate constant; pH 9.00; also in the presence of cyclodextrins at var conc.;
With sodium dodecyl-sulfate In water; acetonitrile at 25℃; pH=8.92; Kinetics; Further Variations:; Reagents; Acetylation;
In ethanol; water Activation energy; Kinetics; Mechanism; Temperature;

...Expand

: 288-32-4
1H-imidazole

: 13031-43-1
4-acetyloxyacetophenone

A: 2466-76-4
N-Acetylimidazole

B: 99-93-4
4-Hydroxyacetophenone

Conditions

Conditions	Yield
In water at 25℃; Equilibrium constant; 6.8; in imidazole buffers (pH 6.8-7.3);
With sodium dodecyl-sulfate In water; acetonitrile at 25℃; pH=8.92; Kinetics; Further Variations:; Reagents; Acetylation;

...Expand

: 288-32-4
1H-imidazole

: 13031-41-9
4-cyanophenyl acetate

A: 2466-76-4
N-Acetylimidazole

B: 767-00-0
4-cyanophenol

Conditions

Conditions	Yield
In water at 25℃; Equilibrium constant; 3.2; in imidazole buffers (pH 6.8-7.3);
With sodium dodecyl-sulfate In water; acetonitrile at 25℃; pH=8.92; Kinetics; Acetylation;

...Expand

: 288-32-4
1H-imidazole

: 78950-34-2
3-(trifluoromethyl)phenyl acetate

A: 2466-76-4
N-Acetylimidazole

B: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
In water at 25℃; Equilibrium constant; 15.6; in imidazole buffers (pH 6.8-7.3);

...Expand

: 36289-36-8
N-cyanoimidazole

: 64-19-7
acetic acid

: 2466-76-4
N-Acetylimidazole

Conditions

Conditions	Yield
In benzene for 2h; Heating;

: 288-32-4
1H-imidazole

: 830-03-5
4-nitrophenol acetate

A: 2466-76-4
N-Acetylimidazole

B: 53520-98-2
hydrogen-bonding complex of p-nitrophenol and imidazole

Conditions

Conditions	Yield
In 1,4-dioxane at 15 - 45℃; Kinetics; Activation energy; Further Variations:; Temperatures; Solvents; Substitution; imidazolysis;

...Expand

: 288-32-4
1H-imidazole

: 7732-18-5
water

: 13015-87-7
adenosine-5'-phosphoric acetic anhydride

: 2466-76-4
N-Acetylimidazole

Conditions

Conditions	Yield
at 26℃; zeitlicher Verlauf;

...Expand

: 288-32-4
1H-imidazole

: 4525-75-1
2-chlorophenyl acetate

A: 2466-76-4
N-Acetylimidazole

B: 95-57-8
2-monochlorophenol

Conditions

Conditions	Yield
With sodium dodecyl-sulfate In water; acetonitrile at 25℃; pH=8.92; Kinetics; Further Variations:; Reagents; Acetylation;

...Expand

: 288-32-4
1H-imidazole

: 876-27-7
4-chlorophenyl acetate

A: 2466-76-4
N-Acetylimidazole

B: 106-48-9
4-chloro-phenol

Conditions

Conditions	Yield
With sodium dodecyl-sulfate In water; acetonitrile at 25℃; pH=8.92; Kinetics; Further Variations:; Reagents; Acetylation;

...Expand

: 288-32-4
1H-imidazole

: 13031-39-5
3-chlorophenyl acetate

A: 2466-76-4
N-Acetylimidazole

B: 108-43-0
3-monochlorophenol

Conditions

Conditions	Yield
With sodium dodecyl-sulfate In water; acetonitrile at 25℃; pH=8.92; Kinetics; Further Variations:; Reagents; Acetylation;

...Expand

: 288-32-4
1H-imidazole

: 1523-06-4
3-nitrophenyl acetate

A: 2466-76-4
N-Acetylimidazole

B: 554-84-7
meta-nitrophenol

Conditions

Conditions	Yield
With sodium dodecyl-sulfate In water; acetonitrile at 25℃; pH=8.92; Kinetics; Acetylation;

...Expand

: 288-32-4
1H-imidazole

: 55682-11-6
3-cyanophenyl acetate

A: 2466-76-4
N-Acetylimidazole

B: 873-62-1
m-cyanophenol

Conditions

Conditions	Yield
With sodium dodecyl-sulfate In water; acetonitrile at 25℃; pH=8.92; Kinetics; Further Variations:; Reagents; Acetylation;

...Expand

: 288-32-4
1H-imidazole

: 17847-51-7
3,4-dichlorophenyl acetate

A: 2466-76-4
N-Acetylimidazole

B: 95-77-2
3,4-dichlorophenol

Conditions

Conditions	Yield
With sodium dodecyl-sulfate In water; acetonitrile at 25℃; pH=8.92; Kinetics; Acetylation;

...Expand

: 288-32-4
1H-imidazole

: 30124-46-0
2,5-dichlorophenol acetate

A: 2466-76-4
N-Acetylimidazole

B: 583-78-8
2,5-dichlorophenol

Conditions

Conditions	Yield
With sodium dodecyl-sulfate In water; acetonitrile at 25℃; pH=8.92; Kinetics; Further Variations:; Reagents; Acetylation;

...Expand

: 288-32-4
1H-imidazole

: 61925-85-7
2,3-dichlorophenyl acetate

A: 2466-76-4
N-Acetylimidazole

B: 576-24-9
2,3-dichlorophenol

Conditions

Conditions	Yield
With sodium dodecyl-sulfate In water; acetonitrile at 25℃; pH=8.92; Kinetics; Acetylation;

...Expand

: 288-32-4
1H-imidazole

: 59190-61-3
3,4,5-trichlorophenyl acetate

A: 2466-76-4
N-Acetylimidazole

B: 609-19-8
3,4,5-trichlorophenol

Conditions

Conditions	Yield
With sodium dodecyl-sulfate In water; acetonitrile at 25℃; pH=8.92; Kinetics; Further Variations:; Reagents; Acetylation;

...Expand

: 288-32-4
1H-imidazole

: 122-79-2
Phenyl acetate

A: 2466-76-4
N-Acetylimidazole

B: 108-95-2
phenol

Conditions

Conditions	Yield
With sodium dodecyl-sulfate In water; acetonitrile at 25℃; pH=8.92; Kinetics; Further Variations:; Reagents; Acetylation;

...Expand

: 288-32-4
1H-imidazole

: 61925-89-1
2,3,4-trichlorophenyl acetate

A: 2466-76-4
N-Acetylimidazole

B: 15950-66-0
2,3,4-trichlorophenol

Conditions

Conditions	Yield
With sodium dodecyl-sulfate In water; acetonitrile at 25℃; pH=8.92; Kinetics; Further Variations:; Reagents; Acetylation;

...Expand

: 914459-77-1
(4-{(S)-2-Amino-2-[1-((S)-2-carbamoyl-1-pent-4-ynylcarbamoyl-ethylcarbamoyl)-cyclohexylcarbamoyl]-ethyl}-benzyl)-phosphonic acid di-tert-butyl ester

: 2466-76-4
N-Acetylimidazole

: 914459-92-0
(4-{(S)-2-Acetylamino-2-[1-((S)-2-carbamoyl-1-pent-4-ynylcarbamoyl-ethylcarbamoyl)-cyclohexylcarbamoyl]-ethyl}-benzyl)-phosphonic acid di-tert-butyl ester

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 24h;	100%

: 2466-76-4
N-Acetylimidazole

: 819-83-0
Sodium beta-glycerophosphate

: bis(acetyl)glycerol-2-phosphate

Conditions

Conditions	Yield
In water-d2; formamide at 20℃; for 72h; pH=7.4; Solvent;	100%

: 2466-76-4
N-Acetylimidazole

: 100343-24-6
4'',6''-O-Cyclohexylidene-3'-deoxy-3'-fluoro-6'-N-methoxycarbonyl-1,3,2',3''-tetra-N-tosylkanamycin B

: 107903-50-4
2''-O-Acetyl-4'',6''-O-cyclohexylidene-3'-deoxy-3'-fluoro-6'-N-methoxycarbonyl-1,3,2',3''-tetra-N-tosylkanamycin B

Conditions

Conditions	Yield
In pyridine; dimethyl sulfoxide for 72h; Ambient temperature;	99%

: 2466-76-4
N-Acetylimidazole

: 7075-11-8
cytosine arabinoside-5'-monophosphate

: 2′,3′-di-O-acetyl-β-aracytidine-5′-phosphate

Conditions

Conditions	Yield
With sodium hydroxide In water at 20℃; for 4h; pH=8;	99%

: 2466-76-4
N-Acetylimidazole

: 74225-92-6
ethyl 2-[4-(bromomethyl)phenoxy]acetate

: 85967-18-6
1-acetyl-3-(4-ethoxycarbonylmethoxybenzyl)imidazolium bromide

Conditions

Conditions	Yield
In acetonitrile	98.6%

: 2466-76-4
N-Acetylimidazole

: 66370-75-0
methyl (2-iodophenyl)acetate

: methyl 2-(2-iodophenyl)-3-oxobutanoate

Conditions

Conditions	Yield
Stage #1: methyl (2-iodophenyl)acetate With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 1h; Claisen Condensation; Inert atmosphere; Stage #2: N-Acetylimidazole In tetrahydrofuran; N,N-dimethyl acetamide at -78 - 20℃; for 2h; Claisen Condensation; Inert atmosphere;	98.5%

: 2466-76-4
N-Acetylimidazole

: methyl 2-(2-bromo-4-chlorophenyl)acetate

: methyl 2-(2-bromo-4-chlorophenyl)-3-hydroxybut-2-enoate

Conditions

Conditions	Yield
Stage #1: methyl 2-(2-bromo-4-chlorophenyl)acetate With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 1h; Claisen Condensation; Inert atmosphere; Stage #2: N-Acetylimidazole In tetrahydrofuran; N,N-dimethyl acetamide at -78 - 20℃; for 2h; Claisen Condensation; Inert atmosphere;	98%

: 2466-76-4
N-Acetylimidazole

: 136-77-6
4-Hexylresorcinol

: 63411-88-1
1-(5-hexyl-2,4-dihydroxyphenyl) ethan-1-one

Conditions

Conditions	Yield
With acyltransferase from bacterium Pseudomonas sp.YGJ3 In aq. phosphate buffer at 35℃; for 18h; pH=7.5; Friedel-Crafts Acylation; Enzymatic reaction; regioselective reaction;	97%

: 2466-76-4
N-Acetylimidazole

: 3891-07-4
N-(2-Hydroxyethyl)phthalimide

: 5466-90-0
2-(1,3(2H)-dioxo-1H-isoindol-2-yl)ethyl acetate

Conditions

Conditions	Yield
Ambient temperature;	96%

: 2466-76-4
N-Acetylimidazole

: 1138-52-9
3,5-Di-tert-butylphenol

: 5723-95-5
Essigsaeure-(3,5-di-tert.-butyl-phenylester)

Conditions

Conditions	Yield
Ambient temperature;	96%

: 2466-76-4
N-Acetylimidazole

: 1069115-12-3
methyl 2-(2-bromo-5-fluorophenyl)acetate

: methyl 2-(2-bromo-5-fluorophenyl)-3-hydroxybut-2-enoate

Conditions

Conditions	Yield
Stage #1: methyl 2-(2-bromo-5-fluorophenyl)acetate With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 1h; Claisen Condensation; Inert atmosphere; Stage #2: N-Acetylimidazole In tetrahydrofuran; N,N-dimethyl-formamide at -78 - 20℃; for 2h; Claisen Condensation; Inert atmosphere;	96%

: 2466-76-4
N-Acetylimidazole

: C13H16O4

: C15H18O5

Conditions

Conditions	Yield
With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine In acetonitrile at 20℃; for 2h; Inert atmosphere; chemoselective reaction;	96%

: 2466-76-4
N-Acetylimidazole

: 1120-71-4
1,3-propanesultone

: C8H12N2O4S

Conditions

Conditions	Yield
In dichloromethane for 4h; Reflux;	96%

: 2466-76-4
N-Acetylimidazole

: 64-04-0
phenethylamine

: 877-95-2
methyl-N-(benzyl-methyl)-formamide

Conditions

Conditions	Yield
In chloroform for 0.5h; Ambient temperature;	95%

: 2466-76-4
N-Acetylimidazole

: 114273-81-3, 127514-72-1
(3aR,5aS,6S,9aS,9bS)-5-Hydroxymethyl-2,2,4,5a,9,9-hexamethyl-3a,5a,6,7,8,9,9a,9b-octahydro-naphtho[1,2-d][1,3]dioxol-6-ol

: Acetic acid (3aR,5aS,6S,9aS,9bS)-6-hydroxy-2,2,4,5a,9,9-hexamethyl-3a,5a,6,7,8,9,9a,9b-octahydro-naphtho[1,2-d][1,3]dioxol-5-ylmethyl ester

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In benzene at 25℃; for 3h;	95%

: 2466-76-4
N-Acetylimidazole

: C13H14O4

: C15H16O5

Conditions

Conditions	Yield
With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine In acetonitrile at 20℃; for 2h; Inert atmosphere; chemoselective reaction;	95%

: 2466-76-4
N-Acetylimidazole

: 28443-50-7
2-amino-5-chlorophenol

: 16323-09-4
N-(4-chloro-2-hydroxyphenyl)acetamide

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃;	94%

: 2466-76-4
N-Acetylimidazole

: 93-17-4
3,4-dimethoxyphenylacetonitrile

: 18133-46-5, 63895-79-4
α-(3,4-dimethoxyphenyl)acetoacetonitrile

Conditions

Conditions	Yield
With lithium hydride In dimethyl sulfoxide at 20℃; for 0.5h;	94%

: 2466-76-4
N-Acetylimidazole

: C12H20O4

: C14H22O5

Conditions

Conditions	Yield
With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine In acetonitrile at 20℃; for 2h; Inert atmosphere; chemoselective reaction;	94%

: 2466-76-4
N-Acetylimidazole

: 128746-07-6
(S)-2-[(R)-2-((S)-6-Amino-2-benzyloxycarbonylamino-hexanoylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoic acid methyl ester; hydrochloride

: 128719-60-8
N-benzyloxycarbonyl-L-lysyl(Ac)-D-tryptophyl-L-leucine methyl ester

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 4℃;	93.4%

: 2466-76-4
N-Acetylimidazole

: 100-39-0
benzyl bromide

: 85106-60-1
1-acetyl-3-benzylimidazolium bromide

Conditions

Conditions	Yield
In acetonitrile Ambient temperature;	93.3%
In acetonitrile for 15h; Ambient temperature;

: 2466-76-4
N-Acetylimidazole

: 79705-78-5
1,6-Anhydro-2-azido-4-O-(2-azido-3,4-di-O-benzyl-2-desoxy-α-D-glucopyranosyl)-2-desoxy-β-D-galactopyranose

: 77710-73-7
4-O-(6-O-Acetyl-2-azido-3,4-di-O-benzyl-2-desoxy-α-D-glucopyranosyl)-1,6-anhydro-2-azido-2-desoxy-β-D-galactopyranose

Conditions

Conditions	Yield
In chloroform Ambient temperature;	93%

: 2466-76-4
N-Acetylimidazole

: 1163127-46-5
6-{(R)-5-[(3R*,4R*)-3-amino-4-(6-methoxy-quinazolin-4-yloxy)-pyrrolidin-1-ylmethyl]-2-oxo-oxazolidin-3-yl}-4H-benzo[1,4]thiazin-3-one

: 1163127-60-3
N-{(3R*,4R*)-4-(6-methoxy-quinazolin-4-yloxy)-1-[(R)-2-oxo-3-(3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-6-yl)-oxazolidin-5-ylmethyl]-pyrrolidin-3-yl}-acetamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 120h;	93%

: 2466-76-4
N-Acetylimidazole

: 57486-69-8
methyl 2-(2-bromophenyl)acetate

: 1243144-97-9
methyl 2-(2-bromophenyl)-3-hydroxybut-2-enoate

Conditions

Conditions	Yield
Stage #1: methyl 2-(2-bromophenyl)acetate With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 0.5h; Stage #2: N-Acetylimidazole In tetrahydrofuran; N,N-dimethyl-formamide for 1h;	93%
Stage #1: methyl 2-(2-bromophenyl)acetate With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 1h; Claisen Condensation; Inert atmosphere; Stage #2: N-Acetylimidazole In tetrahydrofuran; N,N-dimethyl-formamide at -78 - 20℃; for 2h; Claisen Condensation; Inert atmosphere;	93%
Stage #1: methyl 2-(2-bromophenyl)acetate With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 0.5h; Stage #2: N-Acetylimidazole In tetrahydrofuran; N,N-dimethyl-formamide for 1h;	93%
Stage #1: methyl 2-(2-bromophenyl)acetate With lithium hexamethyldisilazane In tetrahydrofuran; toluene at -78℃; for 1h; Inert atmosphere; Stage #2: N-Acetylimidazole In tetrahydrofuran; N,N-dimethyl-formamide at -78℃; Inert atmosphere;	88%
Stage #1: methyl 2-(2-bromophenyl)acetate With lithium hexamethyldisilazane In tetrahydrofuran; toluene at -78℃; for 1h; Inert atmosphere; Stage #2: N-Acetylimidazole In tetrahydrofuran; N,N-dimethyl-formamide; toluene at -78 - 20℃;	2.1 g

: 2466-76-4
N-Acetylimidazole

: 4697-57-8
methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate

: methyl 2-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxybut-2-enoate

Conditions

Conditions	Yield
Stage #1: methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 1h; Claisen Condensation; Inert atmosphere; Stage #2: N-Acetylimidazole In tetrahydrofuran; N,N-dimethyl-formamide at -78 - 20℃; for 2h; Inert atmosphere;	93%

: 2466-76-4
N-Acetylimidazole

: (2S,4R)-2-((4-bromo-3-(trifluoromethyl)benzyl)carbamoyl)-4-hydroxypyrrolidin-1-ium formate

: (2S,4R)-1-acetyl-N-(4-bromo-3-(trifluoromethyl)benzyl)-4-hydroxypyrrolidine-2-carboxamide

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide	93%

1-Acetylimidazole Consensus Reports

Reported in EPA TSCA Inventory.

1-Acetylimidazole Specification

The 1-Acetylimidazole, with the CAS registry number 2466-76-4, is also known as 1-Acetylimidazole. It belongs to the product categories of Imidazoles; Acylation (GC Derivatizing Reagents); GC Derivatizing Reagents; Analytical Chemistry; Imidazoles Protein Modification; Reagents for Tyrosine Modification; Building Blocks; Heterocyclic Building Blocks; Specific Amino Acid Modification. Its EINECS registry number is 219-577-7. This chemical's molecular formula is C₅H₆N₂O and molecular weight is 110.11. What's more, its IUPAC name is called 1-Imidazol-1-ylethanone. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 1-Acetylimidazole are: (1)ACD/LogP: -0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.35; (4)ACD/LogD (pH 7.4): -0.34; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 15.37; (8)ACD/KOC (pH 7.4): 15.56; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 30.711 cm³; (15)Molar Volume: 96.06 cm³; (16)Polarizability: 12.175×10^-24cm³; (17)Surface Tension: 42.057 dyne/cm; (18)Density: 1.146 g/cm³; (19)Flash Point: 88.035 °C; (20)Enthalpy of Vaporization: 45.841 kJ/mol; (21)Boiling Point: 221.955 °C at 760 mmHg; (22)Vapour Pressure: 0.1040 mmHg at 25 °C.

Preparation of 1-Acetylimidazole: this chemical can be prepared by 1H-imidazole with acetyl chloride. This reaction needs solvent tetrahydrofuran at ambient temperature. The reaction time is 15 hours.

1-Acetylimidazole can be prepared by 1H-imidazole with acetyl chloride.

Uses of 1-Acetylimidazole: (1) it is used for biochemical research; (2) it is used to produce other chemicals. For example, it can react with fluorene to get 1-fluoren-2-yl-ethanone. The reaction occurs with reagent trifluoroacetic acid and other condition of heating for 5 hours. The yield is 89 %.

1-Acetylimidazole can react with fluorene to get 1-fluoren-2-yl-ethanone.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(n1ccnc1)C
(2) InChI: InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3
(3) InChIKey: VIHYIVKEECZGOU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	250mg/kg (250mg/kg)	IMMUNOLOGICAL INCLUDING ALLERGIC: DECREASED IMMUNE RESPONSE	Personal Communication from G.D. Stoner, Dept. of Community Medicine, School of Medicine, Univ. of California, La Jolla, CA 92037, May 25, 1975Vol. 27MAY1975,

Product Name

1-Acetylimidazole

Synthetic route

1-Acetylimidazole Consensus Reports

1-Acetylimidazole Specification

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