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| CAS No.: | 22884-10-2 |
|---|---|
| Name: | Imidazol-1-yl-acetic acid |
| Article Data: | 18 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H6N2O2 |
| Molecular Weight: | 126.115 |
| Synonyms: | Imidazole-1-aceticacid (6CI,7CI,8CI);1H-Imidazole-1-ylacetic acid;2-(1H-Imidazol-1-yl)aceticacid;1H-Imidazole-1-Acetic Acid;2-imidazol-1-ylacetic acid; |
| EINECS: | 607-175-8 |
| Density: | 1.33 g/cm3 |
| Melting Point: | 258 ºC |
| Boiling Point: | 392.1 ºC at 760 mmHg |
| Flash Point: | 190.9 ºC |
| Appearance: | Off-white solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-39 |
| PSA: | 55.12000 |
| LogP: | -0.03230 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 25023-22-7
methyl 2-(1H-imidazol-1-yl)acetate
- 22884-10-2
imidazol-1-ylacetic acid
| Conditions | Yield |
|---|---|
| In water | 97% |
| With water-d2 at 80℃; for 12h; Rate constant; | |
| With water for 6h; Heating; | |
| With hydrogenchloride; water at -2 - 2℃; for 2h; pH=4 - 5; | |
| With water In water for 5h; Reflux; |
- 83468-75-1
tert-butyl imidazol-1-ylaceatate
- 22884-10-2
imidazol-1-ylacetic acid
| Conditions | Yield |
|---|---|
| With water at 60 - 115℃; Product distribution / selectivity; | 82.2% |
- 627-01-0
N-ethylglycine
- 13733-17-0
isothiocyanoacetaldehyde diethyl acetal
- 22884-10-2
imidazol-1-ylacetic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid |
- 17450-34-9
ethyl 2-(1H-imidazol-1-yl)acetate
- 22884-10-2
imidazol-1-ylacetic acid
| Conditions | Yield |
|---|---|
| hydrolysis; | |
| With hydrogenchloride In water at 100℃; for 7h; pH=1.5; | |
| With water | |
| With ethanol In acetonitrile for 1h; Reflux; | 12.78 g |
- 105-39-5
chloroacetic acid ethyl ester
- 18156-74-6
1-(Trimethylsilyl)imidazole
B
- 22884-10-2
imidazol-1-ylacetic acid
| Conditions | Yield |
|---|---|
| Stage #1: chloroacetic acid ethyl ester; 1-(Trimethylsilyl)imidazole at 90 - 100℃; Stage #2: With water Further stages.; | |
| Stage #1: chloroacetic acid ethyl ester; 1-(Trimethylsilyl)imidazole at 67 - 70℃; Stage #2: With water Further stages.; |
| Conditions | Yield |
|---|---|
| Stage #1: methyl chloroacetate; 1-(Trimethylsilyl)imidazole at 90 - 100℃; Stage #2: With water Further stages.; | |
| Stage #1: methyl chloroacetate; 1-(Trimethylsilyl)imidazole at 67 - 70℃; Stage #2: With water Further stages.; |
- 18293-71-5
trimethylsilyl chloroacetate
- 18156-74-6
1-(Trimethylsilyl)imidazole
B
- 22884-10-2
imidazol-1-ylacetic acid
| Conditions | Yield |
|---|---|
| Stage #1: trimethylsilyl chloroacetate; 1-(Trimethylsilyl)imidazole at 90 - 100℃; Stage #2: With water Further stages.; | |
| Stage #1: trimethylsilyl chloroacetate; 1-(Trimethylsilyl)imidazole at 67 - 70℃; Stage #2: With water Further stages.; |
- 22884-10-2
imidazol-1-ylacetic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Na2CO3 / H2O 2: hydrolysis View Scheme |
| Conditions | Yield |
|---|---|
| With potassium carbonate; potassium iodide In DMF (N,N-dimethyl-formamide); toluene at 25 - 65℃; for 3.66667 - 5.16667h; Stirring; | |
| Stage #1: 1H-imidazole With potassium tert-butylate In tetrahydrofuran at 0 - 7℃; Inert atmosphere; Stage #2: methyl chloroacetate In tetrahydrofuran at 7 - 25℃; Inert atmosphere; Stage #3: With hydrogenchloride; water In methanol at 25℃; pH=4 - 5; Product distribution / selectivity; |
- 134807-23-1
Benzyl imidazol-1-ylacetate
- 22884-10-2
imidazol-1-ylacetic acid
| Conditions | Yield |
|---|---|
| With hydrogen; 5%-palladium/activated carbon In isopropyl alcohol at 20℃; for 2h; Product distribution / selectivity; | |
| With hydrogenchloride; water at 65℃; for 4h; Product distribution / selectivity; |
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Specification
The Imidazol-1-yl-acetic acid, with the CAS registry number 22884-10-2, is also known as 1H-Imidazole-1-acetic acid. It belongs to the product categories of Amino Acids and Derivatives; Heterocycles; Imidazol & Benzimidazole; Heterocyclic Compounds; Intermediates of Zoledronic Acid. This chemical's molecular formula is C5H6N2O2 and molecular weight is 126.11. What's more, its IUPAC name is called 2-Imidazol-1-ylacetic acid. It is used as intermediate of Zoledronate.
Physical properties about Imidazol-1-yl-acetic acid are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 55.12 Å2; (6)Index of Refraction: 1.588; (7)Molar Refractivity: 31.74 cm3; (8)Molar Volume: 94.3 cm3; (9)Surface Tension: 55.8 dyne/cm; (10)Density: 1.33 g/cm3; (11)Flash Point: 190.9 °C; (12)Enthalpy of Vaporization: 67.69 kJ/mol; (13)Boiling Point: 392.1 °C at 760 mmHg; (14)Vapour Pressure: 7.49E-07 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cn(cn1)CC(=O)O
(2) InChI: InChI=1S/C5H6N2O2/c8-5(9)3-7-2-1-6-4-7/h1-2,4H,3H2,(H,8,9)
(3) InChIKey: QAFBDRSXXHEXGB-UHFFFAOYSA-N