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Sigma-Aldrich

1-(tert-Butoxycarbonyl)imidazole

97%

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About This Item

Empirical Formula (Hill Notation):
C8H12N2O2
CAS Number:
49761-82-2
Molecular Weight:
168.19
EC Number:
256-475-1
MDL number:
MFCD00014497
UNSPSC Code:
12352005
PubChem Substance ID:
24866546
NACRES:
NA.22

Assay

97%

bp

147-150 °C (lit.)

mp

45-47 °C (lit.)

SMILES string

CC(C)(C)OC(=O)n1ccnc1

InChI

1S/C8H12N2O2/c1-8(2,3)12-7(11)10-5-4-9-6-10/h4-6H,1-3H3

InChI key

MTBKGWHHOBJMHJ-UHFFFAOYSA-N

General description

1-(tert-butoxycarbonyl)imidazole is an imidazole derivative. Its gas-phase elimination kinetics study has been studied both theoretically and experimentally.

Application

1-(tert-butoxycarbonyl)imidazole was used in the preparation of water soluble polyrotaxane, via modification of α-cyclodextrin in the presence of KOH and N,N′-carbonyldiimidazole.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBN7075V
MKBL5842V
08112TH
05702JH
07514HE

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Block-Selective Movement of α-Cyclodextrins in Polyrotaxanes of PEI-b-PEG-b-PEI Copolymer.
Choi HS, et al.
Macromolecules, 38(23), 9878-9881 (2005)
Joint theoretical and experimental study of the gas-phase elimination kinetics of tert-butyl ester of carbamic, N,N-dimethylcarbamic, N-hydroxycarbamic acids and 1-(tert-butoxycarbonyl)-imidazole.
Mora JR, et al.
Journal of Physical Organic Chemistry, 20(12), 1021-1031 (2007)

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