1,3-Bis(4-methoxyphenyl)-1,3-propanedione - CAS 18362-51-1
Catalog: |
BB014075 |
Product Name: |
1,3-Bis(4-methoxyphenyl)-1,3-propanedione |
CAS: |
18362-51-1 |
Synonyms: |
1,3-bis(4-methoxyphenyl)propane-1,3-dione |
IUPAC Name: | 1,3-bis(4-methoxyphenyl)propane-1,3-dione |
Description: | 1,3-Bis(4-methoxyphenyl)-1,3-propanedione (CAS# 18362-51-1) is a reagent in the preparation of hydroxyphenyl alkenyl isoxazoles which has estrogen receptor-alpha binding affinity. |
Molecular Weight: | 284.31 |
Molecular Formula: | C17H16O4 |
Canonical SMILES: | COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC |
InChI: | 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 |
InChI Key: | GNMDORSUZRRMFS-UHFFFAOYSA-N |
Boiling Point: | 463.7 °C at 760 mmHg |
Melting Point: | 108-115 °C (lit.) |
Purity: | > 98.0 % (GC) |
Density: | 1.16 g/cm3 |
Appearance: | Yellow powder, crystals or crystalline powder |
MDL: | MFCD00025817 |
LogP: | 3.15950 |
Publication Number | Title | Priority Date |
CN-112142642-A | Preparation method of 1,2, 3-trisubstituted-5-trifluoromethyl pyrrole derivative | 20201015 |
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PMID | Publication Date | Title | Journal |
11349922 | 20010417 | Single-ion versus dipolar origin of the magnetic anisotropy in iron(III)-oxo clusters: a case study | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.10485899 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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