| Identification | More | [Name]
Methyl 4-imidazolecarboxylate | [CAS]
17325-26-7 | [Synonyms]
METHYL 4-IMIDAZOLECARBOXYLATE
METHYL IMIDAZOLE-4-CARBOXYLATE
RARECHEM AL BF 0762
Methyl 1H-imidazole-4-carboxylate
1H-Imidazole-4-carboxylic acid methyl ester
3H-Imidazole-4-carboxylic acid methyl ester | [EINECS(EC#)]
626-673-6 | [Molecular Formula]
C5H6N2O2 | [MDL Number]
MFCD00216584 | [Molecular Weight]
126.11 | [MOL File]
17325-26-7.mol |
| Chemical Properties | Back Directory | [Appearance]
White crystalline powder | [Melting point ]
154-156 °C (lit.) | [Boiling point ]
318.2±15.0 °C(Predicted) | [density ]
1.46 g/cm3 | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
Crystalline Powder | [pka]
10.89±0.10(Predicted) | [color ]
White | [InChI]
InChI=1S/C5H6N2O2/c1-9-5(8)4-2-6-3-7-4/h2-3H,1H3,(H,6,7) | [InChIKey]
DVLGIQNHKLWSRU-UHFFFAOYSA-N | [SMILES]
C1NC(C(OC)=O)=CN=1 | [CAS DataBase Reference]
17325-26-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [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:Wear suitable protective clothing . | [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
29332900 |
| Hazard Information | Back Directory | [Chemical Properties]
White crystalline powder | [Uses]
Methyl 4-imidazolecarboxylate was used as a starting material in the synthesis of 1-(3-prop-1-enyl)-imidazole-4-carboxyaldehyde and osmium(2,2′-bipyridyl)2(methyl 4-imidazolcarboxylate)dichloride. | [General Description]
Methyl 4-imidazolecarboxylate is an alkyl ester of imidazole carboxylic acid. | [Synthesis]
Step 1 Synthesis of methyl 1H-imidazole-4-carboxylate: 1H-imidazole-4-carboxylic acid (1.0 g, 8.9 mmol) was mixed with concentrated sulfuric acid (1 mL) in methanol (30 mL), stirred and heated to 0 °C. The reaction mixture was reacted under reflux conditions overnight. Upon completion of the reaction, the mixture was concentrated under reduced pressure and subsequently partitioned between cold water and ethyl acetate. The organic layer was separated and concentrated under reduced pressure to afford methyl 1H-imidazole-4-carboxylate (1 g, 89% yield). | [References]
[1] Patent: US2010/160323, 2010, A1. Location in patent: Page/Page column 23-24
[2] Patent: CN108314654, 2018, A. Location in patent: Paragraph 0086-0088
[3] Inorganic Chemistry Communications, 2017, vol. 78, p. 32 - 36
[4] Patent: WO2012/143599, 2012, A1. Location in patent: Page/Page column 79 |
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