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Home Other Building Blocks tert-Butyl acetoacetate

tert-Butyl acetoacetate

CAS No.:
1694-31-1
Catalog Number:
AG0035N1
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$19
- +
100g
97%
In Stock USA
United States
$50
- +
500g
97%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG0035N1
Chemical Name:
tert-Butyl acetoacetate
CAS Number:
1694-31-1
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD00008811
IUPAC Name:
tert-butyl 3-oxobutanoate
InChI:
InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3
InChI Key:
JKUYRAMKJLMYLO-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)OC(C)(C)C
EC Number:
216-904-5
UNII:
1D3DOS61GX
NSC Number:
42869
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Synthesis of indenoporphyrins, highly modified porphyrins with reduced diatropic characteristics. The Journal of organic chemistry 20110701
Improved synthesis of three methyl-branched pheromone components produced by the female lichen moth. Bioscience, biotechnology, and biochemistry 20100101
Synthesis of cyclopentenones via intramolecular HWE and the palladium-catalyzed reactions of allylic hydroxy phosphonate derivatives. The Journal of organic chemistry 20080718
An alternative to the use of delta-lactam urethanes in the 'ring switch' approach to higher homologues of AMPA-type glutamate antagonists. Organic & biomolecular chemistry 20030807
Properties