| Identification | Back Directory | [Name]
Isopropyl 1H-imidazole-1-carboxylate | [CAS]
82998-18-3 | [Synonyms]
IPImC
Heller-Sarpong reagent
Isopropyl imidazolecarbamate
Isopropyl 1H-imidazole-1-carboxylate
Isopropyl 1H-imidazole-1-carboxylate 95%
Imidazole-1-carboxylic acid isopropyl ester
1H-Imidazole-1-carboxylic acid, 1-methylethyl ester | [Molecular Formula]
C7H10N2O2 | [MDL Number]
MFCD21336269 | [MOL File]
82998-18-3.mol | [Molecular Weight]
154.17 |
| Chemical Properties | Back Directory | [density ]
1.098 g/mL at 25 °C | [refractive index ]
n20/D1.467 | [Fp ]
108℃ | [storage temp. ]
2-8°C | [form ]
liquid | [Appearance]
Colorless to light yellow Liquid | [InChI]
1S/C7H10N2O2/c1-6(2)11-7(10)9-4-3-8-5-9/h3-6H,1-2H3 | [InChIKey]
UAILNBAKJABHNQ-UHFFFAOYSA-N | [SMILES]
CC(C)OC(=O)n1ccnc1 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22 | [WGK Germany ]
3 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Synthesis]
Isopropyl 1H-imidazole-1-carboxylate is prepared by the reaction of isopropyl alcohol and 1,1'-carbonyldiimidazole. The steps are as follows:
Step 1: Imidazole- 1-carboxylic acid isopropyl ester; To a solution of CDI (2 g, 12.33 mmol), in DCM (25 mL) was added isopropyl alcohol (0.95 mL, 12.33 mmol) at 0 0C. The reaction mixture was stirred at r.t. and progress of the reaction was monitored by TLC. On completion, the reaction mixture was diluted with DCM (100 mL). The organic layer was washed with water (25 mL), brine (25 mL), dried over anhydrous sodium sulphate and concentrated in vacuo. The residue was purified by column chromatography (silica gel, 1: 10 ethyl acetate:Pet. ether) to provide Isopropyl 1H-imidazole-1-carboxylate (330 mg, 77%) as colourless viscous oil. ESIMS (m/z): 155.1 (M+ 1).
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