| Identification | More | [Name]
Imidazol-1-yl-acetic acid | [CAS]
22884-10-2 | [Synonyms]
1-(CARBOXYMETHYL)IMIDAZOLE
1H-IMIDAZOL-1-YLACETIC ACID
1H-IMIDAZOLE-1-ACETIC ACID
1H-IMIDAZOLYLACETIC ACID HCL
1-IMIDAZOLEACETIC ACID
2-(1H-IMIDAZOL-1-YL)ACETIC ACID
2-(1-IMIDAZOLYL)ACETIC ACID
2-(IMIDAZOLE-1-YL)-ACETIC ACID
AKOS MSC-0001
CHEMBRDG-BB 4400175
IMIDAZOL-1-YL-ACETIC ACID
TIMTEC-BB SBB010182
VITAS-BB TBB000646
Imidazole-1-acetic acid
ACETIC ACID, 2-(1H-IMIDAZOL-1-YL) HYDROCHLORIDE(INTERMEDIATES OF ZOLEDRONIC ACID)
1H-Imidazole-1-AceticAcid(ForZoledronicAcid)
Imidazol-1-yl-essigsaeure Hydrochloride
1H-Imidazole-1-acetic
1H-IMIDAZOLE-1-ACETIC ACID, 98+%
Imidazol-1-yl-essigsaeure | [EINECS(EC#)]
607-175-8 | [Molecular Formula]
C5H6N2O2 | [MDL Number]
MFCD01721800 | [Molecular Weight]
126.11 | [MOL File]
22884-10-2.mol |
| Chemical Properties | Back Directory | [Appearance]
Off-White Solid | [Melting point ]
258 °C | [Boiling point ]
392.1±25.0 °C(Predicted) | [density ]
1.33±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Water (Slightly) | [form ]
Solid | [pka]
3.37±0.10(Predicted) | [color ]
White to Pale Beige | [InChI]
InChI=1S/C5H6N2O2/c8-5(9)3-7-2-1-6-4-7/h1-2,4H,3H2,(H,8,9) | [InChIKey]
QAFBDRSXXHEXGB-UHFFFAOYSA-N | [SMILES]
C1N(CC(O)=O)C=CN=1 | [CAS DataBase Reference]
22884-10-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
26-39 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2933399090 |
| Hazard Information | Back Directory | [Chemical Properties]
Off-White Solid | [Uses]
An impurity arising in the synthesis of zoledronic acid (Z623500). | [Definition]
ChEBI: Imidazol-1-ylacetic acid is an imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by an imidazol-1-yl group. It has a role as a metabolite. It is functionally related to an acetic acid. | [Synthesis]
The general procedure for the synthesis of (1-imidazolyl)acetic acid from the compound (CAS: 83468-75-1) was as follows: first, water (15.1 kg) was added to the reactor, followed by removal of chloroform by distillation, controlling the jacket temperature at 60-65 °C (boiling point of the azeotrope is 53 °C) and returning the aqueous phase back to the reactor by using a Dean-Stark water separator. After the chloroform is completely removed, the reactor jacket temperature is slowly raised to 115°C, at which point the tert-butanol and water form an azeotrope (boiling point of 80°C) that is distilled out. After the alcohol was completely removed, the remaining aqueous solution was cooled to room temperature and then drained from the reactor, resulting in 17.54 kg of solution containing (1-imidazolyl)acetic acid. The actual amount of (1-imidazolyl)acetic acid in the solution was determined by NMR to be 3.77 kg (29.9 mol) in 82.2% yield. | [storage]
Store at -20°C | [References]
[1] Patent: WO2007/109542, 2007, A2. Location in patent: Page/Page column 4; 6 |
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