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| CAS No.: | 959-33-1 |
|---|---|
| Name: | 4-METHOXYCHALCONE |
| Molecular Structure: | |
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| Formula: | C16H14O2 |
| Molecular Weight: | 238.286 |
| Synonyms: | Chalcone,4-methoxy- (6CI,7CI,8CI);(4-Methoxybenzylidene)acetophenone;(p-Methoxybenzylidene)acetophenone;1-Phenyl-3-(4-methoxyphenyl)-2-propen-1-one;3-(p-Methoxyphenyl)-1-phenyl-2-propen-1-one;4'-Methoxybenzylideneacetophenone;NSC 11866;NSC 636917;Phenylp-methoxystyryl ketone;p-Methoxystyryl phenyl ketone; |
| EINECS: | 213-499-7 |
| Density: | 1.114 g/cm3 |
| Melting Point: | 73-76 °C(lit.) |
| Boiling Point: | 397.3 °C at 760 mmHg |
| Flash Point: | 180.4 °C |
| Appearance: | yellow crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 26.30000 |
| LogP: | 3.59130 |
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Specification
The IUPAC name of 4-Methoxychalcone is 3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one. With the CAS registry number 959-33-1, it is also named as 4'-Methoxybenzylideneacetophenone. The product's categories are Chalcones; Biochemistry; Flavonoids. It is yellow crystalline powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)XLogP3: 3.1; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 4; (5)Exact Mass: 238.09938; (6)MonoIsotopic Mass: 238.09938; (7)Topological Polar Surface Area: 26.3; (8)Heavy Atom Count: 18; (9)Formal Charge: 0; (10)Complexity: 282; (11)Isotope Atom Count: 0; (12)Undefined Bond StereoCenter Count: 1; (13)Covalently-Bonded Unit Count: 1.
Preparation of 4-Methoxychalcone: It can be obtained by 4-methoxy-benzaldehyde and 1-phenyl-ethanone. This reaction needs reagents 2,2'-bipyridine, Co(OAc)2 and solvent dimethylformamide at temperature of 80 °C. The reaction time is 18 hours. The yield is 96%.
Uses of 4-Methoxychalcone: It can react with morpholine to get 3-(4-methoxy-phenyl)-3-morpholin-4-yl-1-phenyl-propan-1-one. This reaction needs solvent heptane by heating. The reaction time is 8 hours. The yield is 37%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(c1ccccc1)\C=C\c2ccc(OC)cc2
2. InChI:InChI=1/C16H14O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
3. InChIKey:XUFXKBJMCRJATM-FMIVXFBMBT