1,3-Bis(4-methoxyphenyl)-1,3-propanedione
Basic information
- CAS
18362-51-1- Standard SMILES
COc1ccc(C(=O)CC(=O)c2ccc(OC)cc2)cc1- InChIKey
GNMDORSUZRRMFS-UHFFFAOYSA-N- Molecular formula
- C17H16O4
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.10485899
Names & identifiers
- Preferred name
- 1,3-Bis(4-methoxyphenyl)-1,3-propanedione
- IUPAC
- 1,3-bis(4-methoxyphenyl)propane-1,3-dione
- English name
- 1,3-Bis(4-methoxyphenyl)-1,3-propanedione
- Molecular formula
- C17H16O4
- Molecular weight
- 284.31
Names & synonyms
18362-51-11,3-Bis(4-methoxyphenyl)-1,3-propanedione1,3-Propanedione, 1,3-bis(4-methoxyphenyl)-Bis(4-methoxybenzoyl)methaneJHJ6BAP8SZp,p'-DimethoxydibenzoylmethaneUNII-JHJ6BAP8SZEINECS 242-233-2NSC 99046NSC-990461,3-Di-(4-methoxyphenyl)-1,3-propanedioneDTXSID6066363
Show more names
1,3-bis(4-methoxyphenyl)propane-1,3-dioneParsol DAM3-BROMO-20-CHLOROPHENOL44DIMETHOXYDIBENZOYLMETHANEMethyl Salicylate Impurity 331,3-bis(4-methoxyphenyl)-3-propanedione1,3-BIS(4-METHOXYPHENYL)-1,3-PROPANEDION1,3-Bis(p-methoxyphenyl)-1,3-propanedione1,3-Propanedione,1,3-bis(4-Methoxyphenyl)-
DI(P-METHOXYBENZOYL)METHANEBIS(P-METHOXYBENZOYL)METHANE(4,4'-DIMETHOXYDIBENZOYL)METHANE1,3-DI(4-METHOXYPHENYL)-1,3-PROPANEDIONERefChem:72514DTXCID8035841242-233-2GNMDORSUZRRMFS-UHFFFAOYSA-N
Database identifiers
- CAS
18362-51-1- PubChem CID
- 87596
- DTXSID
DTXSID6066363- ChEMBL
CHEMBL1334587- UNII
- JHJ6BAP8SZ
- EC Number
- 242-233-2
- Nikkaji
- J266.133K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 316
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 108 · 108-115 °C(lit.)
- Boiling point
- 463.7 · 463.7±30.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.92 · 9.92±0.13(Predicted)
- color
- Pale Yellow
- InChI
- 1S/C17H16O4/c1-20-14-7-3-12(4-8-14)16(18)11-17(19)13-5-9-15(21-2)10-6-13/h3-10H,11H2,1-2H3
- InChIKey
- GNMDORSUZRRMFS-UHFFFAOYSA-N
- SMILES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29145090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Propanedione, 1,3-bis(4-methoxyphenyl)-: INACTIVE
Applications
Uses1,3-Bis(4-methoxyphenyl)-1,3-propanedione (Hpmdbm) may be used:As a reactant in the preparation of 1,3-bis(4-hydroxyphenyl)-1,3-propanedione.As a starting material in the synthesis of propylpyrazole triol (PPT).As a ligand in the synthesis of [NaFe6(OCH3)12(pmdbm)6]ClO4, an iron(III)-oxo cluster.
General Description1,3-Bis(4-methoxyphenyl)-1,3-propanedione is a diketone. It is formed as an intermediate during the synthesis of bisphenols.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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