1-[3,4-Bis(benzyloxy)phenyl]ethan-1-one
Basic information
- CAS
27628-06-4- Standard SMILES
CC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1- InChIKey
LOSAYZQTPQUBLS-UHFFFAOYSA-N- Molecular formula
- C22H20O3
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.1412445
Names & identifiers
- Preferred name
- 1-[3,4-Bis(benzyloxy)phenyl]ethan-1-one
- IUPAC
- 1-[3,4-bis(phenylmethoxy)phenyl]ethanone
- English name
- Ethanone,1-[3,4-bis(phenylmethoxy)phenyl]-
- Molecular formula
- C22H20O3
- Molecular weight
- 332.39
Names & synonyms
27628-06-41-[3,4-Bis(benzyloxy)phenyl]ethan-1-one1-[3,4-bis(phenylmethoxy)phenyl]ethanone1-(3,4-Bis(benzyloxy)phenyl)ethanoneMFCD304890971-(3,4-bis(benzyloxy)phenyl)ethan-1-one3,4-Bis(benzyloxy)acetophenone; NSC 211430; 3',4'-Bis(benzyloxy)-acetophenoneNSC211430Terbutaline Impurity N24SCHEMBL3123036SCHEMBL28519753DTXSID00309242
Show more names
TerbutalineImpurity40Terbutaline Impurity 24Ethanone,1-[3,4-bis(phenylmethoxy)phenyl]-Terbutaline Impurity 40/1-(3,4-bis(benzyloxy)phenyl)ethan-1-one
1-(3,4-dibenzyloxyphenyl)ethanoneAKOS030527474LR-0034NSC-211430DA-598201-[3,4-Bis(benzyloxy)phenyl](2H3)ethanone
Database identifiers
- CAS
27628-06-4- PubChem CID
- 309233
- DTXSID
DTXSID00309242- Nikkaji
- J2.501.463D
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Melting point
- 94 · 94-99°C
- Boiling point
- 495 · 495.0±35.0 °C(Predicted)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
Uses1-[3,4-Bis(phenylmethoxy)phenyl]ethanone is an intermediate in synthesizing Arbutamine (A766300). It is a cardiac stimulant. Arbutamine stimulates adrenergic receptors.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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