Basic information
- CAS
23197-67-3- Standard SMILES
CCOC(=O)C(C(=O)OCC)c1ccc(OC)cc1- InChIKey
QXHBIWJHLHGDEO-UHFFFAOYSA-N- Molecular formula
- C14H18O5
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.11542367
Names & identifiers
- Preferred name
- Diethyl 2-(4-methoxyphenyl)malonate
- IUPAC
- diethyl 2-(4-methoxyphenyl)propanedioate
- English name
- DIETHYL 4-METHOXYPHENYL MALONATE
- Molecular formula
- C14H18O5
- Molecular weight
- 266.29
Names & synonyms
Diethyl 2-(4-methoxyphenyl)malonate23197-67-3DTXSID70382865RefChem:337801DTXCID40333889Diethyl 4-methoxyphenyl malonatediethyl 2-(4-methoxyphenyl)propanedioateMFCD040389651,3-diethyl 2-(4-methoxyphenyl)propanedioate2-(4-Methoxyphenyl)-malonic acid diethyl esterPropanedioic acid, 2-(4-methoxyphenyl)-, 1,3-diethyl esterethyl 2-ethoxycarbonyl-2-(4-methoxyphenyl)acetate
Show more names
AURORA KA-4193RARECHEM AL BI 06102-(4-Methoxyphenyl)-malonic acid diethylesterDiethyl 2-(4-methoxyphenyl)propane-1,3-dioate, 4-(1,3-Diethoxy-1,3-dioxoprop-2-yl)anisole
SCHEMBL1043694Propanedioic acid, 2-(4-methoDiethyl-2-p-methoxyphenylmalonateQXHBIWJHLHGDEO-UHFFFAOYSA-NAKOS005259930Diethyl (4-methoxyphenyl)propanedioatePS-7312DB-220551
Database identifiers
- CAS
23197-67-3- PubChem CID
- 2785178
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 72 °C · 72 °C
- Boiling point
- 178 · 178-180 °C(Press: 3 Torr)
- Density
- 1.115 g/cm3 · 1.115 g/cm3(Temp: 24 °C)
- storage temp.
- Store at room temperature
- form
- liquid
- pka
- 12.76 · 12.76±0.46(Predicted)
- color
- Colourless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- Hazard Codes
- Xi
- HS Code
- 2917191090 · 2917191090
Safety & regulation
Safety data
- hs_code
- 2917191090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Applications
UsesDiethyl 2-(4-Methoxyphenyl)malonate is an intermediate in the synthesis of 4-hydroxy felbamate (H942470). Diethyl 2-(4-Methoxyphenyl)malonate is a reagent in evaluating the structure-activity relationships of non-nucleoside adenosine kinase inhibitors of aminoarylarylethynylpyrimidines.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers8 total
Aladdin Scientific[email protected]
Related reactions
11 records
Compound notes
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