Products Categories
CAS No.: | 2568-24-3 |
---|---|
Name: | 4,7-DIHYDRO-2-PHENYL-1,3-DIOXEPIN |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C11H12O2 |
Molecular Weight: | 176.215 |
Synonyms: | 2-Phenyl-1,3-dioxacyclohept-5-ene;2-Phenyl-1,3-dioxep-5-ene;4,7-Dihydro-2-phenyl-1,3-dioxepin;NSC 92787; |
Density: | 1.076 g/cm3 |
Melting Point: | 75-76 °C(Solv: hexane (110-54-3)) |
Boiling Point: | 277.2 °C at 760 mmHg |
Flash Point: | 127.2 °C |
PSA: | 18.46000 |
LogP: | 2.28820 |
What can I do for you?
Get Best Price
This chemical is called 1,3-Dioxepin, 4,7-dihydro-2-phenyl-, and its systematic name is 2-phenyl-4,7-dihydro-1,3-dioxepine. With the molecular formula of C11H12O2, its molecular weight is 176.21. The CAS registry number of this chemical is 2568-24-3. It should be stored in the cool and dry place.
Other characteristics of the 1,3-Dioxepin, 4,7-dihydro-2-phenyl- can be summarised as followings: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.526; (8)Molar Refractivity: 50.31 cm3; (9)Molar Volume: 163.7 cm3; (10)Polarizability: 19.94×10-24cm3; (11)Surface Tension: 40.9 dyne/cm; (12)Density: 1.076 g/cm3; (13)Flash Point: 127.2 °C; (14)Enthalpy of Vaporization: 49.51 kJ/mol; (15)Boiling Point: 277.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00772 mmHg at 25°C.
Production method of this chemical: The 1,3-Dioxepin, 4,7-dihydro-2-phenyl- could be obtained by the reactants of benzaldehyde and but-2c-ene-1,4-diol. This reaction needs the reagent of toluene-4-sulfonic acid.
Uses of this chemical: The 2-phenyl-4,5-dihydro-[1,3]dioxeπne could be obtained by the reactant of 1,3-Dioxepin, 4,7-dihydro-2-phenyl-. This reaction needs the reagent of KOtBu, and the solvent of dimethylsulfoxide. The yield is 58 %. This reaction should be taken for 48 hours at the temperature of 80 °C.
You can still convert the following datas into molecular structure:
1.SMILES: O1C\C=C/COC1c2ccccc2
2.InChI: InChI=1/C11H12O2/c1-2-6-10(7-3-1)11-12-8-4-5-9-13-11/h1-7,11H,8-9H2
3.InChIKey: DRRPAFPCDLXMFG-UHFFFAOYAX