3-Ethoxy-3-oxopropylzinc bromide solution
Product Information
Molecular Formula
C2H5O2CCH2CH2ZnBr
Molecular Weight
246.42
Description
3-Ethoxy-3-oxopropylzinc bromide is a reagent used to insert ethyl propanoate group to the substrate. It can be used in:• Synthesis of γ-keto esters from aryl chlorides.• Synthesis of sulfones from 1,4-diazabicyclo[2.2.2]octane bis(sulfur dioxide) (DABSO) and alkyl halides.• Negishi cross-couplings with aryl vinyl phosphates to synthesize 1,1-disubstituted alkenes.
Synonyms
3-ETHOXY-3-OXOPROPYLZINC BROMIDE; bromozinc(1+); ethyl propanoate; Zinc, bromo(3-ethoxy-3-oxopropyl)-; (3-ethoxy-3-oxopropyl)zinc(II) bromide; 3-Ethoxy-3-oxopropylzinc bromide 0.5 M in Tetrahydrofuran; 3-ethoxy-3-oxopropylzincbromide; 2-(Ethoxycarbonyl)ethylzinc bromide; AKOS016018065; 2-(Ethoxycarbonyl)ethylzinc bromide, 0.5M in THF
IUPAC Name
bromozinc(1+)ethyl propanoate
SMILES
CCOC(=O)C[CH2-].[Zn+]Br
InChI
InChI=1S/C5H9O2.BrH.Zn/c1-3-5(6)7-4-2/h1,3-4H2,2H31H/q-1+2/p-1
InChI Key
APPDFGHVJHZDKS-UHFFFAOYSA-M
Flash Point
1.4 °F - closed cup
Density
0.972 g/mL at 25 °C
Storage
2-8°C
Safety Information
Hazards
H225 - H302 - H314 - H335 - H351
Precautionary Statement
P210 - P260 - P280 - P305 + P351 + P338 - P370 + P378 - P403 + P235
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
243.90773 g/mol
Monoisotopic Mass
243.90773 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
68
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
