Methyl 3-[3-(Benzyloxy)phenyl]-3-oxopropionate
Basic information
- CAS
150356-53-9- Standard SMILES
COC(=O)CC(=O)c1cccc(OCc2ccccc2)c1- InChIKey
CJNSVCPVXPHFTF-UHFFFAOYSA-N- Molecular formula
- C17H16O4
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.10485899
Names & identifiers
- Preferred name
- Methyl 3-[3-(Benzyloxy)phenyl]-3-oxopropionate
- IUPAC
- methyl 3-oxo-3-(3-phenylmethoxyphenyl)propanoate
- English name
- BETA-OXO-3-(PHENYLMETHOXY)-BENZENEPROPANOIC ACID METHYL ESTER
- Molecular formula
- C17H16O4
- Molecular weight
- 284.31
Names & synonyms
150356-53-9Methyl 3-[3-(Benzyloxy)phenyl]-3-oxopropionateMethyl 3-(3-(benzyloxy)phenyl)-3-oxopropanoateMFCD11974581methyl 3-oxo-3-(3-phenylmethoxyphenyl)propanoatemethyl 3-[3-(benzyloxy)phenyl]-3-oxopropanoatebeta-oxo-3-(phenylmethoxy)-benzenepropanoic acid methyl esterSCHEMBL7531827AC4392AKOS037630006SY122717methyl 3-(3-benzyloxyphenyl)-3-oxo-propanoate
Show more names
Methyl β-oxo-3-(phenylmethoxy)benzenepropanoateBenzenepropanoic acid, β-oxo-3-(phenylmethoxy)-, methyl ester
Database identifiers
- CAS
150356-53-9- PubChem CID
- 53724551
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Boiling point
- 404.2 · 404.2±25.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- solubility
- soluble in Dichloromethane
- pka
- 10.25 · 10.25±0.46(Predicted)
- form
- Solid
- color
- Yellow
Chemistry & industry
Applications
UsesMethyl 3-(3-(Benzyloxy)phenyl)-3-oxopropanoate is an intermediate in the synthesis of β-(m-Hydroxyphenyl)hydracrylic Acid (H949280). β-(m-Hydroxyphenyl)hydracrylic Acid is a urinary metabolite of phenylalanine from the Clostridium gram-positive bacteria cell line. Urinary metabolite of Rutin (R701800), a capillary protectant in plants.
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Compound notes
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