28440
tert-Butyl cyanoacetate
≥97.0% (GC)
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About This Item
Linear Formula:
NCCH2COOC(CH3)3
CAS Number:
Molecular Weight:
141.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
214-243-7
Beilstein/REAXYS Number:
1755933
MDL number:
Assay:
≥97.0% (GC)
InChI key
BFNYNEMRWHFIMR-UHFFFAOYSA-N
InChI
1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3
SMILES string
CC(C)(C)OC(=O)CC#N
assay
≥97.0% (GC)
refractive index
n20/D 1.420
bp
40-42 °C/0.1 mmHg (lit.)
density
0.988 g/mL at 20 °C (lit.)
functional group
ester, nitrile
storage temp.
2-8°C
Quality Level
Related Categories
General description
tert-Butyl cyanoacetate undergoes functionalization and decarboxylation to form 3-amino-4-alkyl isoquinolines.
Application
tert-Butyl cyanoacetate was used in the synthesis of vinylogous urea.
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
244.4 °F - closed cup
flash_point_c
118 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Barry B Snider et al.
Organic letters, 7(20), 4519-4522 (2005-09-24)
[reaction: see text] Addition of the enolate of tert-butyl acetate to cyanamide methyl ester 17 followed by treatment with LHMDS afforded vinylogous urea 19 in 27% yield. Vinylogous urea 19 was also obtained from 37 and tert-butyl cyanoacetate in 50%
Ben S Pilgrim et al.
Organic letters, 15(24), 6190-6193 (2013-11-21)
A methyl ketone, an aryl bromide, an electrophile, and ammonium chloride were combined in a four-component, three-step, and one-pot coupling procedure to furnish substituted isoquinolines in overall yields of up to 80%. This protocol utilizes the palladium catalyzed α-arylation reaction
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