| Identification | More | [Name]
1-Methyl-1H-imidazole-4-carboxylic acid | [CAS]
41716-18-1 | [Synonyms]
1-METHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID
1-METHYLIMIDAZOLE-4-CARBOXYLIC ACID
BUTTPARK 90\06-31
1-Methyl-1H-4carboxylicacid
1-Methyl-1H-imidazole-4-carboxylic acid, 90+%
1-Methyl-1H-imidazole-4-carboxylic acid ,95%
1-methyl-1H-imidzole-4-carboxylic acid
1-methyl-4-imidazole-carboxylic acid | [EINECS(EC#)]
636-992-2 | [Molecular Formula]
C5H6N2O2 | [MDL Number]
MFCD02179560 | [Molecular Weight]
126.11 | [MOL File]
41716-18-1.mol |
| Questions And Answer | Back Directory | [Synthesis]
Step 1: A solution of 1-methyl-4,5-dicyanimidazolium (105.0 g) in 750 mL of 6N NaOH was stirred vigorously under reflux for 2 hours. After the reaction was complete, the hot solution was carefully acidified with concentrated hydrochloric acid to a pH of approximately 2, and then cooled to ambient temperature. The solution was filtered, and the filtrate was dried at 100°C to remove water, yielding the corresponding 1-methyl-4,5-imidazolium dicarboxylic acid intermediate. Step 2: A mixture of 850 mg of 1-methyl-4,5-imidazolium dicarboxylic acid and 25 mL of N,N-dimethylacetamide was heated at 180°C for 3 hours. After the reaction was complete, the mixture was evaporated, and the residue was extracted with benzene. The residue was then recrystallized from ethanol to obtain the target product, 1-Methyl-1H-imidazole-4-carboxylic acid.
| [Application]
1-Methyl-4-imidazolium carboxylic acid belongs to the imidazolium derivative class. It has certain acidity and is mainly used as an intermediate in organic synthesis and pharmaceutical chemistry. It can be used in the synthesis of bioactive molecules and biological hormones. |
| Chemical Properties | Back Directory | [Melting point ]
245 °C | [Boiling point ]
399.1±15.0 °C(Predicted) | [density ]
1.34±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
DMSO, Methanol | [form ]
Solid | [pka]
1.61±0.10(Predicted) | [color ]
Off-White to Light Brown | [Sensitive ]
Hygroscopic | [Detection Methods]
HPLC | [InChI]
InChI=1S/C5H6N2O2/c1-7-2-4(5(8)9)6-3-7/h2-3H,1H3,(H,8,9) | [InChIKey]
WZTRQGJMMHMFGH-UHFFFAOYSA-N | [SMILES]
C1N(C)C=C(C(O)=O)N=1 | [CAS DataBase Reference]
41716-18-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29339900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White to light brown solid | [Definition]
ChEBI: 1-methyl-imidazole-4-carboxylic acid is an imidazolyl carboxylic acid. It has a role as a metabolite. |
|
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