| Identification | More | [Name]
METHYL 1-METHYLIMIDAZOLE-5-CARBOXYLATE | [CAS]
17289-20-2 | [Synonyms]
METHYL 1-METHYL-1H-IMIDAZOLE-5-CARBOXYLATE
METHYL 1-METHYLIMIDAZOLE-5-CARBOXYLATE
RARECHEM AL BF 0940
Methyl 1-methylimidazole-5-carboxylate 97%
1-Methyl-5-methoxycarbonylimidazole | [EINECS(EC#)]
1806241-263-5 | [Molecular Formula]
C6H8N2O2 | [MDL Number]
MFCD01567300 | [Molecular Weight]
140.14 | [MOL File]
17289-20-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
48-50°C | [Boiling point ]
68-70°C 0,2mm | [density ]
1.18 | [Fp ]
126℃ | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Powder | [pka]
4.30±0.10(Predicted) | [color ]
Pale yellow | [InChI]
InChI=1S/C6H8N2O2/c1-8-4-7-3-5(8)6(9)10-2/h3-4H,1-2H3 | [InChIKey]
AKDPLDCXQNEMCL-UHFFFAOYSA-N | [SMILES]
C1N(C)C(C(OC)=O)=CN=1 | [CAS DataBase Reference]
17289-20-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P280a-P304+P340-P305+P351+P338-P405-P501a | [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 . | [Hazard Note ]
Irritant | [HS Code ]
2933998090 |
| Hazard Information | Back Directory | [Uses]
Methyl 1-methyl-1H-imidazole-5-carboxylate is used as a synthetic intermediate for the construction of the imidazole-containing skeleton of CYP11B1 inhibitors [2]. | [Reactions]
Reaction of methyl 1-methylimidazole-5-carboxylate with phenylsulfonylmethyl magnesium bromide provided a β-ketosulfone[1]. | [References]
[1] Wuonola, M. A., & Woodward, R. B. (1976). Imidazole alkaloids of Macrorungia longistrobus. Tetrahedron, 32 10, Pages 1085-1095. https://doi.org/10.1016/0040-4020(76)85030-2
[2] Emmerich, J., van Koppen, C. J., Burkhart, J. L. (2017). Lead Optimization Generates CYP11B1 Inhibitors of Pyridylmethyl Isoxazole Type with Improved Pharmacological Profile for the Treatment of Cushing’s Disease. Journal of Medicinal Chemistry, 60 12, 5086–5098. https://doi.org/10.1021/acs.jmedchem.7b00437 |
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