4-ETHOXY-4-OXOBUTYLZINC BROMIDE
Product Information
Molecular Formula
C6H11BrO2Zn
Molecular Weight
260.44
Description
4-Ethoxy-4-oxobutylzinc bromide can be used:• As an intermediate in one of the key synthetic steps for the preparation of acrylic acid derivatives as EP3 receptor antagonists.• As an intermediate in the final step of the total synthesis of a natural product mucosin.• As a substrate in the synthesis of multi-substituted haloalkenes by reacting with 1-haloalkenes via Negishi cross-coupling reaction.
Synonyms
4-ETHOXY-4-OXOBUTYLZINC BROMIDE; 4-ETHOXY-4-OXOBUTYLZINC BROMIDE, 0.5MSOL UTION IN TETRAHYDROFURAN; 4-ethoxy-4-oxobutylzinc bromide solution
IUPAC Name
bromozinc(1+)ethyl butanoate
SMILES
CCOC(=O)CC[CH2-].[Zn+]Br
InChI
InChI=1S/C6H11O2.BrH.Zn/c1-3-5-6(7)8-4-2/h1,3-5H2,2H31H/q-1+2/p-1
InChI Key
XPARCVGSTPKNNR-UHFFFAOYSA-M
Density
0.976 g/mL at 25 °C
Appearance
Light to dark brown liquid
Storage
2-8°C
Safety Information
Hazards
H319 - H335 - H351
Precautionary Statement
P261 - P281 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
257.92338 g/mol
Monoisotopic Mass
257.92338 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
78.1
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
