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About This Item
Linear Formula:
(CH3)3COCONHCH2CN
CAS Number:
Molecular Weight:
156.18
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
N-(tert-Butoxycarbonyl)-2-aminoacetonitrile, 97%
InChI
1S/C7H12N2O2/c1-7(2,3)11-6(10)9-5-4-8/h5H2,1-3H3,(H,9,10)
SMILES string
CC(C)(C)OC(=O)NCC#N
InChI key
SMZKPZXYDDZDJG-UHFFFAOYSA-N
assay
97%
form
solid
bp
186 °C (lit.)
mp
53-57 °C (lit.)
functional group
amine
nitrile
Application
N-(tert-Butoxycarbonyl)-2-aminoacetonitrile may be used for the preparation of N-(tert-butoxycarbonyl)-2-aminoacetamidoxime, by reaction with hydroxylamine hydrochloride.
General description
N-(tert-Butoxycarbonyl)-2-aminoacetonitrile is an organic building block.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
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A convenient large scale synthesis of N-Boc-ethylenediamine.
Ravikumar VT.
Synthetic Communications, 24(12), 1767-1772 (1994)
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Clutterbuck LA, et al.
Journal of Medicinal Chemistry, 52(9), 2694-2707 (2009)
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