| Identification | More | [Name]
N-BOC-IMIDAZOLE | [CAS]
49761-82-2 | [Synonyms]
1-(TERT-BUTOXYCARBONYL)IMIDAZOLE
BOC-IMIDAZOLE
N-BOC-IMIDAZOLE
N-T-BOC-IMIDAZOLE
N-TERT-BUTOXYCARBONYLIMIDAZOLE
1H-Imidazole-1-carboxylic acid, 1,1-dimethylethyl ester
tert-Butyl 1H-imidazole-1-carboxylate
N-Boc-imidazole,98% | [EINECS(EC#)]
256-475-1 | [Molecular Formula]
C8H12N2O2 | [MDL Number]
MFCD00014497 | [Molecular Weight]
168.19 | [MOL File]
49761-82-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
45-47 °C(lit.)
| [Boiling point ]
147-150 °C(lit.)
| [density ]
1.1835 (rough estimate) | [refractive index ]
1.4200 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
Soluble in hexane, acetone, and DMF. | [form ]
powder to crystal | [pka]
3.49±0.10(Predicted) | [color ]
White to Almost white | [Sensitive ]
Moisture Sensitive | [BRN ]
607792 | [InChI]
InChI=1S/C8H12N2O2/c1-8(2,3)12-7(11)10-5-4-9-6-10/h4-6H,1-3H3 | [InChIKey]
MTBKGWHHOBJMHJ-UHFFFAOYSA-N | [SMILES]
C1N(C(OC(C)(C)C)=O)C=CN=1 | [CAS DataBase Reference]
49761-82-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
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
| [HS Code ]
2933299090 |
| Hazard Information | Back Directory | [Chemical Properties]
White powder | [Uses]
1-Boc-imidazole is used in the preparation of water soluble polyrotaxane, via modification of α-cyclodextrin in the presence of KOH and N,N?-carbonyldiimidazole. | [Synthesis Reference(s)]
1. (a) Barcelo, G.; Senet, J. P.; Sennyey, G. JOC 1985, 50, 3951. (b) Klee, W.; Brenner, M. HCA 1961, 2151.
| [General Description]
1-(tert-butoxycarbonyl)imidazole is an imidazole derivative. Its gas-phase elimination kinetics study has been studied both theoretically and experimentally. | [Synthesis]
1-(t-butoxycarbonyl)imidazole can be synthesized by the reaction of imidazole and 1,2,2,2-tetrachloroethyl-t-butyl carbonate or the reaction of t-butanol and N,N′-carbonyldiimidazole in high yield.1
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