Products Categories
CAS No.: | 18362-51-1 |
---|---|
Name: | 1,3-BIS(4-METHOXYPHENYL)-1,3-PROPANEDIONE |
Article Data: | 63 |
Molecular Structure: | |
Formula: | C17H16O4 |
Molecular Weight: | 284.312 |
Synonyms: | 1,3-Propanedione,1,3-bis(p-methoxyphenyl)- (6CI,8CI);(4,4'-Dimethoxydibenzoyl)methane;1,3-Bis(p-methoxyphenyl)-1,3-propanedione;Bis(p-methoxybenzoyl)methane;Di(p-methoxybenzoyl)methane;NSC 99046;p,p'-Dimethoxydibenzoylmethane; |
EINECS: | 242-233-2 |
Density: | 1.16 g/cm3 |
Melting Point: | 108-115 °C(lit.) |
Boiling Point: | 463.7 °C at 760 mmHg |
Flash Point: | 206.4 °C |
Appearance: | Powder, crystals, or crystalline powder |
PSA: | 52.60000 |
LogP: | 3.15950 |
What can I do for you?
Get Best Price
This chemical is called 1,3-Propanedione, 1,3-bis(4-methoxyphenyl)-, and its systematic name is 1,3-bis(4-methoxyphenyl)propane-1,3-dionato. With the molecular formula of C17H16O4, its product categories are Environmentally-friendly Oxidation; Synthetic Organic Chemistry; C15 to C38; Carbonyl Compounds; Ketones. The CAS registry number of this chemical is 18362-51-1.
Other characteristics of the 1,3-Propanedione, 1,3-bis(4-methoxyphenyl)- can be summarised as followings: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 157.32; (6)ACD/BCF (pH 7.4): 156.86; (7)ACD/KOC (pH 5.5): 1300.38; (8)ACD/KOC (pH 7.4): 1296.54; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 79.23 cm3; (15)Molar Volume: 244.8 cm3; (16)Polarizability: 31.41×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 206.4 °C; (20)Enthalpy of Vaporization: 72.49 kJ/mol; (21)Boiling Point: 463.7 °C at 760 mmHg; (22)Vapour Pressure: 8.92E-09 mmHg at 25°C.
Production method of this chemical: The 1,3-Propanedione, 1,3-bis(4-methoxyphenyl)- could be obtained by the reactants of 1-(4-methoxy-phenyl)-ethanone and 4-methoxy-benzoic acid ethyl ester. This reaction needs the reagents of NaNH2, and the solvent of diethyl ether.
Uses of this chemical: The 1,3-Propanedione, 1,3-bis(4-methoxyphenyl)- could react with iodomethane, and obtain the 1,3-bis-(4-methoxy-phenyl)-2,2-dimethyl-propane-1,3-dione. This reaction needs the reagent of K2CO3, and the solvent of dimethylsulfoxide, CHCl3. The yield is 58 %.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccc(OC)cc1)CC(=O)c2ccc(OC)cc2
2.InChI: InChI=1/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
3.InChIKey: GNMDORSUZRRMFS-UHFFFAOYAU