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ChemicalBook--->CAS DataBase List--->49761-82-2

49761-82-2

49761-82-2 Structure

49761-82-2 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack 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 InformationBack 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
Spectrum DetailBack Directory
[Spectrum Detail]

N-BOC-IMIDAZOLE(49761-82-2)MS
N-BOC-IMIDAZOLE(49761-82-2)1HNMR
N-BOC-IMIDAZOLE(49761-82-2)IR1
N-BOC-IMIDAZOLE(49761-82-2)IR2
N-BOC-IMIDAZOLE(49761-82-2)IR3
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Boc-imidazole, 98%(49761-82-2)
[Sigma Aldrich]

49761-82-2(sigmaaldrich)
[TCI AMERICA]

N-tert-Butoxycarbonylimidazole,>98.0%(T)(49761-82-2)
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